id	sid	tid	token	lemma	pos
ajset-646	1	1	microsoft	microsoft	PROPN
ajset-646	1	2	word	word	NOUN
ajset-646	1	3	1033.doc	1033.doc	NUM
ajset-646	1	4	academic	academic	ADJ
ajset-646	1	5	journal	journal	NOUN
ajset-646	1	6	of	of	ADP
ajset-646	1	7	science	science	NOUN
ajset-646	1	8	,	,	PUNCT
ajset-646	1	9	engineering	engineering	NOUN
ajset-646	1	10	and	and	CCONJ
ajset-646	1	11	technology	technology	NOUN
ajset-646	1	12	vol.6	vol.6	PROPN
ajset-646	1	13	,	,	PUNCT
ajset-646	1	14	issue	issue	NOUN
ajset-646	1	15	5	5	NUM
ajset-646	1	16	;	;	PUNCT
ajset-646	1	17	september	september	PROPN
ajset-646	1	18	october	october	PROPN
ajset-646	1	19	2021	2021	NUM
ajset-646	1	20	;	;	PUNCT
ajset-646	1	21	1252	1252	NUM
ajset-646	1	22	columbia	columbia	PROPN
ajset-646	1	23	rd	rd	PROPN
ajset-646	1	24	nw	nw	PROPN
ajset-646	1	25	,	,	PUNCT
ajset-646	1	26	washington	washington	PROPN
ajset-646	1	27	dc	dc	PROPN
ajset-646	1	28	,	,	PUNCT
ajset-646	1	29	united	united	PROPN
ajset-646	1	30	states	states	PROPN
ajset-646	1	31	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	1	32	;	;	PUNCT
ajset-646	1	33	mail	mail	NOUN
ajset-646	1	34	:	:	PUNCT
ajset-646	1	35	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	2	1	1	1	NUM
ajset-646	3	1	|	|	ADV
ajset-646	3	2	a	a	DET
ajset-646	3	3	c	c	NOUN
ajset-646	3	4	a	a	PRON
ajset-646	3	5	d	d	X
ajset-646	3	6	e	e	NOUN
ajset-646	3	7	m	m	NOUN
ajset-646	3	8	i	i	NOUN
ajset-646	3	9	c	c	NOUN
ajset-646	3	10	j	j	NOUN
ajset-646	3	11	o	o	X
ajset-646	3	12	u	u	NOUN
ajset-646	3	13	r	r	NOUN
ajset-646	3	14	n	n	NOUN
ajset-646	3	15	a	a	DET
ajset-646	3	16	l	l	NOUN
ajset-646	4	1	o	o	X
ajset-646	4	2	f	f	X
ajset-646	4	3	s	s	X
ajset-646	4	4	c	c	NOUN
ajset-646	5	1	i	i	NOUN
ajset-646	5	2	e	e	PROPN
ajset-646	5	3	n	n	PROPN
ajset-646	5	4	c	c	NOUN
ajset-646	5	5	e	e	X
ajset-646	5	6	,	,	PUNCT
ajset-646	5	7	e	e	PROPN
ajset-646	5	8	n	n	PRON
ajset-646	5	9	g	g	NOUN
ajset-646	5	10	i	i	PRON
ajset-646	5	11	n	n	VERB
ajset-646	5	12	e	e	NOUN
ajset-646	5	13	e	e	NOUN
ajset-646	5	14	r	r	VERB
ajset-646	5	15	i	i	PRON
ajset-646	5	16	n	n	CCONJ
ajset-646	5	17	g	g	PROPN
ajset-646	5	18	a	a	DET
ajset-646	5	19	n	n	NOUN
ajset-646	5	20	d	d	NOUN
ajset-646	5	21	t	t	NOUN
ajset-646	5	22	e	e	X
ajset-646	5	23	c	c	NOUN
ajset-646	5	24	h	h	NOUN
ajset-646	5	25	n	n	ADV
ajset-646	5	26	o	o	NOUN
ajset-646	5	27	l	l	NOUN
ajset-646	6	1	o	o	X
ajset-646	6	2	g	g	NOUN
ajset-646	6	3	y	y	PROPN
ajset-646	6	4	|	|	ADV
ajset-646	6	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	6	6	integrating	integrate	VERB
ajset-646	6	7	thermodynamic	thermodynamic	ADJ
ajset-646	6	8	and	and	CCONJ
ajset-646	6	9	kinetic	kinetic	ADJ
ajset-646	6	10	information	information	NOUN
ajset-646	6	11	:	:	PUNCT
ajset-646	6	12	insights	insight	NOUN
ajset-646	6	13	from	from	ADP
ajset-646	6	14	pourbaix	pourbaix	PROPN
ajset-646	6	15	diagrams	diagram	NOUN
ajset-646	6	16	in	in	ADP
ajset-646	6	17	electrochemistry	electrochemistry	PROPN
ajset-646	6	18	dr	dr	PROPN
ajset-646	6	19	.	.	PROPN
ajset-646	6	20	emily	emily	PROPN
ajset-646	6	21	anne	anne	PROPN
ajset-646	6	22	mitchell	mitchell	PROPN
ajset-646	6	23	and	and	CCONJ
ajset-646	6	24	dr	dr	PROPN
ajset-646	6	25	.	.	PROPN
ajset-646	6	26	alexander	alexander	PROPN
ajset-646	6	27	james	james	PROPN
ajset-646	6	28	patel	patel	PROPN
ajset-646	6	29	department	department	PROPN
ajset-646	6	30	of	of	ADP
ajset-646	6	31	chemistry	chemistry	PROPN
ajset-646	6	32	,	,	PUNCT
ajset-646	6	33	york	york	PROPN
ajset-646	6	34	college	college	PROPN
ajset-646	6	35	,	,	PUNCT
ajset-646	6	36	city	city	PROPN
ajset-646	6	37	university	university	PROPN
ajset-646	6	38	of	of	ADP
ajset-646	6	39	new	new	PROPN
ajset-646	6	40	york	york	PROPN
ajset-646	6	41	abstract	abstract	NOUN
ajset-646	6	42	:	:	PUNCT
ajset-646	6	43	in	in	ADP
ajset-646	6	44	the	the	DET
ajset-646	6	45	pursuit	pursuit	NOUN
ajset-646	6	46	of	of	ADP
ajset-646	6	47	sustainable	sustainable	ADJ
ajset-646	6	48	energy	energy	NOUN
ajset-646	6	49	solutions	solution	NOUN
ajset-646	6	50	and	and	CCONJ
ajset-646	6	51	environmental	environmental	ADJ
ajset-646	6	52	preservation	preservation	NOUN
ajset-646	6	53	,	,	PUNCT
ajset-646	6	54	the	the	DET
ajset-646	6	55	need	need	NOUN
ajset-646	6	56	to	to	PART
ajset-646	6	57	meet	meet	VERB
ajset-646	6	58	the	the	DET
ajset-646	6	59	growing	grow	VERB
ajset-646	6	60	energy	energy	NOUN
ajset-646	6	61	demands	demand	NOUN
ajset-646	6	62	of	of	ADP
ajset-646	6	63	the	the	DET
ajset-646	6	64	modern	modern	ADJ
ajset-646	6	65	world	world	NOUN
ajset-646	6	66	has	have	AUX
ajset-646	6	67	become	become	VERB
ajset-646	6	68	increasingly	increasingly	ADV
ajset-646	6	69	pressing	pressing	ADJ
ajset-646	6	70	.	.	PUNCT
ajset-646	7	1	this	this	DET
ajset-646	7	2	challenge	challenge	NOUN
ajset-646	7	3	has	have	AUX
ajset-646	7	4	ignited	ignite	VERB
ajset-646	7	5	a	a	DET
ajset-646	7	6	concerted	concerted	ADJ
ajset-646	7	7	effort	effort	NOUN
ajset-646	7	8	to	to	PART
ajset-646	7	9	identify	identify	VERB
ajset-646	7	10	and	and	CCONJ
ajset-646	7	11	harness	harness	ADJ
ajset-646	7	12	renewable	renewable	ADJ
ajset-646	7	13	energy	energy	NOUN
ajset-646	7	14	sources	source	NOUN
ajset-646	7	15	.	.	PUNCT
ajset-646	8	1	fuel	fuel	NOUN
ajset-646	8	2	cells	cell	NOUN
ajset-646	8	3	have	have	AUX
ajset-646	8	4	emerged	emerge	VERB
ajset-646	8	5	as	as	ADP
ajset-646	8	6	a	a	DET
ajset-646	8	7	promising	promising	ADJ
ajset-646	8	8	avenue	avenue	NOUN
ajset-646	8	9	in	in	ADP
ajset-646	8	10	this	this	DET
ajset-646	8	11	endeavor	endeavor	NOUN
ajset-646	8	12	,	,	PUNCT
ajset-646	8	13	primarily	primarily	ADV
ajset-646	8	14	due	due	ADP
ajset-646	8	15	to	to	ADP
ajset-646	8	16	their	their	PRON
ajset-646	8	17	ability	ability	NOUN
ajset-646	8	18	to	to	PART
ajset-646	8	19	derive	derive	VERB
ajset-646	8	20	energy	energy	NOUN
ajset-646	8	21	from	from	ADP
ajset-646	8	22	solar	solar	ADJ
ajset-646	8	23	power	power	NOUN
ajset-646	8	24	and	and	CCONJ
ajset-646	8	25	the	the	DET
ajset-646	8	26	readily	readily	ADV
ajset-646	8	27	available	available	ADJ
ajset-646	8	28	supply	supply	NOUN
ajset-646	8	29	of	of	ADP
ajset-646	8	30	water	water	NOUN
ajset-646	8	31	.	.	PUNCT
ajset-646	9	1	this	this	DET
ajset-646	9	2	paper	paper	NOUN
ajset-646	9	3	delves	delve	VERB
ajset-646	9	4	into	into	ADP
ajset-646	9	5	the	the	DET
ajset-646	9	6	quest	quest	NOUN
ajset-646	9	7	for	for	ADP
ajset-646	9	8	efficient	efficient	ADJ
ajset-646	9	9	catalysts	catalyst	NOUN
ajset-646	9	10	to	to	PART
ajset-646	9	11	facilitate	facilitate	VERB
ajset-646	9	12	the	the	DET
ajset-646	9	13	reversible	reversible	ADJ
ajset-646	9	14	process	process	NOUN
ajset-646	9	15	of	of	ADP
ajset-646	9	16	water	water	NOUN
ajset-646	9	17	splitting	splitting	NOUN
ajset-646	9	18	,	,	PUNCT
ajset-646	9	19	a	a	DET
ajset-646	9	20	critical	critical	ADJ
ajset-646	9	21	step	step	NOUN
ajset-646	9	22	in	in	ADP
ajset-646	9	23	hydrogen	hydrogen	NOUN
ajset-646	9	24	production	production	NOUN
ajset-646	9	25	.	.	PUNCT
ajset-646	10	1	furthermore	furthermore	ADV
ajset-646	10	2	,	,	PUNCT
ajset-646	10	3	we	we	PRON
ajset-646	10	4	explore	explore	VERB
ajset-646	10	5	the	the	DET
ajset-646	10	6	cathodic	cathodic	NOUN
ajset-646	10	7	process	process	NOUN
ajset-646	10	8	of	of	ADP
ajset-646	10	9	hydrogen	hydrogen	NOUN
ajset-646	10	10	oxidation	oxidation	NOUN
ajset-646	10	11	in	in	ADP
ajset-646	10	12	hydrogen	hydrogen	NOUN
ajset-646	10	13	fuel	fuel	NOUN
ajset-646	10	14	cells	cell	NOUN
ajset-646	10	15	.	.	PUNCT
ajset-646	11	1	this	this	DET
ajset-646	11	2	work	work	NOUN
ajset-646	11	3	draws	draw	VERB
ajset-646	11	4	inspiration	inspiration	NOUN
ajset-646	11	5	from	from	ADP
ajset-646	11	6	nature	nature	NOUN
ajset-646	11	7	's	's	PART
ajset-646	11	8	hydrogenase	hydrogenase	ADJ
ajset-646	11	9	enzymes	enzyme	NOUN
ajset-646	11	10	,	,	PUNCT
ajset-646	11	11	which	which	PRON
ajset-646	11	12	exhibit	exhibit	VERB
ajset-646	11	13	remarkable	remarkable	ADJ
ajset-646	11	14	efficiency	efficiency	NOUN
ajset-646	11	15	in	in	ADP
ajset-646	11	16	catalyzing	catalyze	VERB
ajset-646	11	17	both	both	PRON
ajset-646	11	18	of	of	ADP
ajset-646	11	19	these	these	DET
ajset-646	11	20	processes	process	NOUN
ajset-646	11	21	.	.	PUNCT
ajset-646	12	1	the	the	DET
ajset-646	12	2	insights	insight	NOUN
ajset-646	12	3	gained	gain	VERB
ajset-646	12	4	from	from	ADP
ajset-646	12	5	studying	study	VERB
ajset-646	12	6	hydrogenase	hydrogenase	ADJ
ajset-646	12	7	enzymes	enzyme	NOUN
ajset-646	12	8	offer	offer	VERB
ajset-646	12	9	valuable	valuable	ADJ
ajset-646	12	10	guidance	guidance	NOUN
ajset-646	12	11	in	in	ADP
ajset-646	12	12	the	the	DET
ajset-646	12	13	design	design	NOUN
ajset-646	12	14	and	and	CCONJ
ajset-646	12	15	development	development	NOUN
ajset-646	12	16	of	of	ADP
ajset-646	12	17	hydrogenase	hydrogenase	ADJ
ajset-646	12	18	-	-	PUNCT
ajset-646	12	19	like	like	ADJ
ajset-646	12	20	catalysts	catalyst	NOUN
ajset-646	12	21	,	,	PUNCT
ajset-646	12	22	paving	pave	VERB
ajset-646	12	23	the	the	DET
ajset-646	12	24	way	way	NOUN
ajset-646	12	25	for	for	ADP
ajset-646	12	26	cleaner	clean	ADJ
ajset-646	12	27	and	and	CCONJ
ajset-646	12	28	more	more	ADV
ajset-646	12	29	sustainable	sustainable	ADJ
ajset-646	12	30	energy	energy	NOUN
ajset-646	12	31	production	production	NOUN
ajset-646	12	32	.	.	PUNCT
ajset-646	13	1	keywords	keyword	NOUN
ajset-646	13	2	:	:	PUNCT
ajset-646	13	3	renewable	renewable	ADJ
ajset-646	13	4	energy	energy	NOUN
ajset-646	13	5	,	,	PUNCT
ajset-646	13	6	fuel	fuel	NOUN
ajset-646	13	7	cells	cell	NOUN
ajset-646	13	8	,	,	PUNCT
ajset-646	13	9	water	water	NOUN
ajset-646	13	10	splitting	splitting	NOUN
ajset-646	13	11	,	,	PUNCT
ajset-646	13	12	hydrogen	hydrogen	NOUN
ajset-646	13	13	production	production	NOUN
ajset-646	13	14	,	,	PUNCT
ajset-646	13	15	hydrogenase	hydrogenase	ADJ
ajset-646	13	16	enzymes	enzyme	NOUN
ajset-646	13	17	1	1	NUM
ajset-646	13	18	.	.	PUNCT
ajset-646	13	19	introduction	introduction	NOUN
ajset-646	13	20	the	the	DET
ajset-646	13	21	challenge	challenge	NOUN
ajset-646	13	22	of	of	ADP
ajset-646	13	23	meeting	meet	VERB
ajset-646	13	24	the	the	DET
ajset-646	13	25	energy	energy	NOUN
ajset-646	13	26	demands	demand	NOUN
ajset-646	13	27	of	of	ADP
ajset-646	13	28	the	the	DET
ajset-646	13	29	modern	modern	ADJ
ajset-646	13	30	age	age	NOUN
ajset-646	13	31	while	while	SCONJ
ajset-646	13	32	preserving	preserve	VERB
ajset-646	13	33	environmental	environmental	ADJ
ajset-646	13	34	quality	quality	NOUN
ajset-646	13	35	is	be	AUX
ajset-646	13	36	driving	drive	VERB
ajset-646	13	37	a	a	DET
ajset-646	13	38	push	push	NOUN
ajset-646	13	39	towards	towards	ADP
ajset-646	13	40	finding	find	VERB
ajset-646	13	41	renewable	renewable	ADJ
ajset-646	13	42	energy	energy	NOUN
ajset-646	13	43	sources.1	sources.1	NOUN
ajset-646	13	44	-	-	PUNCT
ajset-646	13	45	5	5	NUM
ajset-646	13	46	fuel	fuel	NOUN
ajset-646	13	47	cells	cell	NOUN
ajset-646	13	48	are	be	AUX
ajset-646	13	49	one	one	NUM
ajset-646	13	50	such	such	ADJ
ajset-646	13	51	target	target	NOUN
ajset-646	13	52	because	because	SCONJ
ajset-646	13	53	the	the	DET
ajset-646	13	54	energy	energy	NOUN
ajset-646	13	55	source	source	NOUN
ajset-646	13	56	can	can	AUX
ajset-646	13	57	be	be	AUX
ajset-646	13	58	garnered	garner	VERB
ajset-646	13	59	from	from	ADP
ajset-646	13	60	solar	solar	ADJ
ajset-646	13	61	power	power	NOUN
ajset-646	13	62	and	and	CCONJ
ajset-646	13	63	the	the	DET
ajset-646	13	64	naturally	naturally	ADV
ajset-646	13	65	abundant	abundant	ADJ
ajset-646	13	66	water	water	NOUN
ajset-646	13	67	supply.6	supply.6	NOUN
ajset-646	13	68	we	we	PRON
ajset-646	13	69	are	be	AUX
ajset-646	13	70	exploring	explore	VERB
ajset-646	13	71	ways	way	NOUN
ajset-646	13	72	to	to	PART
ajset-646	13	73	design	design	VERB
ajset-646	13	74	efficient	efficient	ADJ
ajset-646	13	75	catalysts	catalyst	NOUN
ajset-646	13	76	for	for	ADP
ajset-646	13	77	reversibly	reversibly	ADV
ajset-646	13	78	carrying	carry	VERB
ajset-646	13	79	out	out	ADP
ajset-646	13	80	the	the	DET
ajset-646	13	81	water	water	NOUN
ajset-646	13	82	splitting	splitting	NOUN
ajset-646	13	83	process	process	NOUN
ajset-646	13	84	.	.	PUNCT
ajset-646	14	1	hydrogen	hydrogen	NOUN
ajset-646	14	2	production	production	NOUN
ajset-646	14	3	is	be	AUX
ajset-646	14	4	a	a	DET
ajset-646	14	5	fundamental	fundamental	ADJ
ajset-646	14	6	step	step	NOUN
ajset-646	14	7	in	in	ADP
ajset-646	14	8	water	water	NOUN
ajset-646	14	9	splitting	splitting	NOUN
ajset-646	14	10	,	,	PUNCT
ajset-646	14	11	and	and	CCONJ
ajset-646	14	12	hydrogen	hydrogen	NOUN
ajset-646	14	13	oxidation	oxidation	NOUN
ajset-646	14	14	is	be	AUX
ajset-646	14	15	the	the	DET
ajset-646	14	16	cathodic	cathodic	ADJ
ajset-646	14	17	process	process	NOUN
ajset-646	14	18	in	in	ADP
ajset-646	14	19	a	a	DET
ajset-646	14	20	hydrogen	hydrogen	NOUN
ajset-646	14	21	fuel	fuel	NOUN
ajset-646	14	22	cell.7	cell.7	PROPN
ajset-646	14	23	hydrogenase	hydrogenase	NOUN
ajset-646	14	24	enzymes	enzyme	NOUN
ajset-646	14	25	catalyze	catalyze	NOUN
ajset-646	14	26	both	both	DET
ajset-646	14	27	processes	process	NOUN
ajset-646	14	28	with	with	ADP
ajset-646	14	29	extreme	extreme	ADJ
ajset-646	14	30	efficiency	efficiency	NOUN
ajset-646	14	31	and	and	CCONJ
ajset-646	14	32	are	be	AUX
ajset-646	14	33	thus	thus	ADV
ajset-646	14	34	useful	useful	ADJ
ajset-646	14	35	as	as	ADP
ajset-646	14	36	a	a	DET
ajset-646	14	37	learning	learn	VERB
ajset-646	14	38	tool	tool	NOUN
ajset-646	14	39	to	to	PART
ajset-646	14	40	help	help	VERB
ajset-646	14	41	in	in	ADP
ajset-646	14	42	the	the	DET
ajset-646	14	43	design	design	NOUN
ajset-646	14	44	of	of	ADP
ajset-646	14	45	hydrogenase	hydrogenase	NOUN
ajset-646	14	46	-	-	PUNCT
ajset-646	14	47	like	like	ADJ
ajset-646	14	48	catalysts.8	catalysts.8	PROPN
ajset-646	14	49	in	in	ADP
ajset-646	14	50	this	this	DET
ajset-646	14	51	paper	paper	NOUN
ajset-646	14	52	,	,	PUNCT
ajset-646	14	53	computational	computational	ADJ
ajset-646	14	54	methods	method	NOUN
ajset-646	14	55	are	be	AUX
ajset-646	14	56	applied	apply	VERB
ajset-646	14	57	to	to	PART
ajset-646	14	58	explore	explore	VERB
ajset-646	14	59	features	feature	NOUN
ajset-646	14	60	of	of	ADP
ajset-646	14	61	catalysts	catalyst	NOUN
ajset-646	14	62	,	,	PUNCT
ajset-646	14	63	inspired	inspire	VERB
ajset-646	14	64	by	by	ADP
ajset-646	14	65	hydrogenase	hydrogenase	ADJ
ajset-646	14	66	enzymes	enzyme	NOUN
ajset-646	14	67	,	,	PUNCT
ajset-646	14	68	and	and	CCONJ
ajset-646	14	69	evaluate	evaluate	VERB
ajset-646	14	70	their	their	PRON
ajset-646	14	71	contributions	contribution	NOUN
ajset-646	14	72	to	to	ADP
ajset-646	14	73	overall	overall	ADJ
ajset-646	14	74	catalytic	catalytic	ADJ
ajset-646	14	75	ability	ability	NOUN
ajset-646	14	76	.	.	PUNCT
ajset-646	15	1	the	the	DET
ajset-646	15	2	role	role	NOUN
ajset-646	15	3	of	of	ADP
ajset-646	15	4	the	the	DET
ajset-646	15	5	ligand	ligand	ADJ
ajset-646	15	6	architecture	architecture	NOUN
ajset-646	15	7	and	and	CCONJ
ajset-646	15	8	the	the	DET
ajset-646	15	9	influence	influence	NOUN
ajset-646	15	10	of	of	ADP
ajset-646	15	11	solvent	solvent	NOUN
ajset-646	15	12	on	on	ADP
ajset-646	15	13	the	the	DET
ajset-646	15	14	catalysts	catalyst	NOUN
ajset-646	15	15	’	'	PUNCT
ajset-646	15	16	ability	ability	NOUN
ajset-646	15	17	to	to	PART
ajset-646	15	18	function	function	VERB
ajset-646	15	19	in	in	ADP
ajset-646	15	20	a	a	DET
ajset-646	15	21	thermodynamically	thermodynamically	ADV
ajset-646	15	22	realizable	realizable	ADJ
ajset-646	15	23	regime	regime	NOUN
ajset-646	15	24	for	for	ADP
ajset-646	15	25	protoncoupled	protoncouple	VERB
ajset-646	15	26	electron	electron	NOUN
ajset-646	15	27	-	-	PUNCT
ajset-646	15	28	transfer	transfer	NOUN
ajset-646	15	29	processes	process	NOUN
ajset-646	15	30	are	be	AUX
ajset-646	15	31	the	the	DET
ajset-646	15	32	primary	primary	ADJ
ajset-646	15	33	focus	focus	NOUN
ajset-646	15	34	.	.	PUNCT
ajset-646	16	1	we	we	PRON
ajset-646	16	2	adopt	adopt	VERB
ajset-646	16	3	a	a	DET
ajset-646	16	4	systematic	systematic	ADJ
ajset-646	16	5	approach	approach	NOUN
ajset-646	16	6	of	of	ADP
ajset-646	16	7	describing	describe	VERB
ajset-646	16	8	a	a	DET
ajset-646	16	9	set	set	NOUN
ajset-646	16	10	of	of	ADP
ajset-646	16	11	possible	possible	ADJ
ajset-646	16	12	mechanistic	mechanistic	ADJ
ajset-646	16	13	routes	route	NOUN
ajset-646	16	14	for	for	ADP
ajset-646	16	15	h2	h2	NOUN
ajset-646	16	16	production	production	NOUN
ajset-646	16	17	and	and	CCONJ
ajset-646	16	18	oxidation	oxidation	NOUN
ajset-646	16	19	and	and	CCONJ
ajset-646	16	20	characterize	characterize	VERB
ajset-646	16	21	the	the	DET
ajset-646	16	22	intermediates	intermediate	NOUN
ajset-646	16	23	in	in	ADP
ajset-646	16	24	order	order	NOUN
ajset-646	16	25	to	to	PART
ajset-646	16	26	elucidate	elucidate	VERB
ajset-646	16	27	the	the	DET
ajset-646	16	28	most	most	ADV
ajset-646	16	29	energetically	energetically	ADV
ajset-646	16	30	favored	favor	VERB
ajset-646	16	31	reaction	reaction	NOUN
ajset-646	16	32	mechanism	mechanism	NOUN
ajset-646	16	33	.	.	PUNCT
ajset-646	17	1	in	in	ADP
ajset-646	17	2	the	the	DET
ajset-646	17	3	vast	vast	ADJ
ajset-646	17	4	potential	potential	ADJ
ajset-646	17	5	energy	energy	NOUN
ajset-646	17	6	landscape	landscape	NOUN
ajset-646	17	7	of	of	ADP
ajset-646	17	8	these	these	DET
ajset-646	17	9	model	model	NOUN
ajset-646	17	10	systems	system	NOUN
ajset-646	17	11	,	,	PUNCT
ajset-646	17	12	this	this	DET
ajset-646	17	13	approach	approach	NOUN
ajset-646	17	14	could	could	AUX
ajset-646	17	15	reveal	reveal	VERB
ajset-646	17	16	starting	start	VERB
ajset-646	17	17	structures	structure	NOUN
ajset-646	17	18	that	that	PRON
ajset-646	17	19	can	can	AUX
ajset-646	17	20	be	be	AUX
ajset-646	17	21	used	use	VERB
ajset-646	17	22	to	to	PART
ajset-646	17	23	explore	explore	VERB
ajset-646	17	24	transition	transition	NOUN
ajset-646	17	25	states	state	NOUN
ajset-646	17	26	at	at	ADP
ajset-646	17	27	critical	critical	ADJ
ajset-646	17	28	junctures	juncture	NOUN
ajset-646	17	29	along	along	ADP
ajset-646	17	30	the	the	DET
ajset-646	17	31	reaction	reaction	NOUN
ajset-646	17	32	coordinate	coordinate	NOUN
ajset-646	17	33	.	.	PUNCT
ajset-646	18	1	insight	insight	NOUN
ajset-646	18	2	gained	gain	VERB
ajset-646	18	3	from	from	ADP
ajset-646	18	4	understanding	understand	VERB
ajset-646	18	5	the	the	DET
ajset-646	18	6	mechanism	mechanism	NOUN
ajset-646	18	7	of	of	ADP
ajset-646	18	8	how	how	SCONJ
ajset-646	18	9	these	these	DET
ajset-646	18	10	catalytic	catalytic	ADJ
ajset-646	18	11	models	model	NOUN
ajset-646	18	12	function	function	VERB
ajset-646	18	13	can	can	AUX
ajset-646	18	14	be	be	AUX
ajset-646	18	15	correlated	correlate	VERB
ajset-646	18	16	with	with	ADP
ajset-646	18	17	the	the	DET
ajset-646	18	18	electrochemical	electrochemical	ADJ
ajset-646	18	19	operating	operating	NOUN
ajset-646	18	20	conditions	condition	NOUN
ajset-646	18	21	of	of	ADP
ajset-646	18	22	the	the	DET
ajset-646	18	23	experiments	experiment	NOUN
ajset-646	18	24	.	.	PUNCT
ajset-646	19	1	together	together	ADV
ajset-646	19	2	,	,	PUNCT
ajset-646	19	3	the	the	DET
ajset-646	19	4	information	information	NOUN
ajset-646	19	5	offers	offer	VERB
ajset-646	19	6	the	the	DET
ajset-646	19	7	opportunity	opportunity	NOUN
ajset-646	19	8	to	to	PART
ajset-646	19	9	recommend	recommend	VERB
ajset-646	19	10	more	more	ADV
ajset-646	19	11	efficient	efficient	ADJ
ajset-646	19	12	designs	design	NOUN
ajset-646	19	13	.	.	PUNCT
ajset-646	20	1	this	this	DET
ajset-646	20	2	paper	paper	NOUN
ajset-646	20	3	is	be	AUX
ajset-646	20	4	organized	organize	VERB
ajset-646	20	5	as	as	SCONJ
ajset-646	20	6	follows	follow	VERB
ajset-646	20	7	:	:	PUNCT
ajset-646	20	8	section	section	PROPN
ajset-646	20	9	ii	ii	PROPN
ajset-646	20	10	(	(	PUNCT
ajset-646	20	11	background	background	NOUN
ajset-646	20	12	/	/	SYM
ajset-646	20	13	motivation	motivation	NOUN
ajset-646	20	14	)	)	PUNCT
ajset-646	20	15	introduces	introduce	VERB
ajset-646	20	16	two	two	NUM
ajset-646	20	17	crystal	crystal	NOUN
ajset-646	20	18	structures	structure	NOUN
ajset-646	20	19	and	and	CCONJ
ajset-646	20	20	corresponding	correspond	VERB
ajset-646	20	21	data	datum	NOUN
ajset-646	20	22	for	for	ADP
ajset-646	20	23	experimentally	experimentally	ADV
ajset-646	20	24	characterized	characterize	VERB
ajset-646	20	25	hydrogenase	hydrogenase	NOUN
ajset-646	20	26	-	-	PUNCT
ajset-646	20	27	inspired	inspire	VERB
ajset-646	20	28	model	model	NOUN
ajset-646	20	29	catalysts	catalyst	NOUN
ajset-646	20	30	that	that	PRON
ajset-646	20	31	motivated	motivate	VERB
ajset-646	20	32	this	this	DET
ajset-646	20	33	work	work	NOUN
ajset-646	20	34	;	;	PUNCT
ajset-646	20	35	section	section	NOUN
ajset-646	20	36	iii	iii	PROPN
ajset-646	20	37	(	(	PUNCT
ajset-646	20	38	method	method	NOUN
ajset-646	20	39	)	)	PUNCT
ajset-646	20	40	describes	describe	VERB
ajset-646	20	41	the	the	DET
ajset-646	20	42	computational	computational	ADJ
ajset-646	20	43	approach	approach	NOUN
ajset-646	20	44	of	of	ADP
ajset-646	20	45	using	use	VERB
ajset-646	20	46	free	free	ADJ
ajset-646	20	47	energy	energy	NOUN
ajset-646	20	48	profiles	profile	NOUN
ajset-646	20	49	and	and	CCONJ
ajset-646	20	50	coupled	couple	VERB
ajset-646	20	51	pourbaix	pourbaix	NOUN
ajset-646	20	52	diagrams	diagram	NOUN
ajset-646	20	53	as	as	ADP
ajset-646	20	54	a	a	DET
ajset-646	20	55	tool	tool	NOUN
ajset-646	20	56	for	for	ADP
ajset-646	20	57	understanding	understand	VERB
ajset-646	20	58	the	the	DET
ajset-646	20	59	reaction	reaction	NOUN
ajset-646	20	60	mechanism	mechanism	NOUN
ajset-646	20	61	and	and	CCONJ
ajset-646	20	62	determining	determine	VERB
ajset-646	20	63	the	the	DET
ajset-646	20	64	electrochemically	electrochemically	ADV
ajset-646	20	65	tunable	tunable	ADJ
ajset-646	20	66	aspects	aspect	NOUN
ajset-646	20	67	of	of	ADP
ajset-646	20	68	catalyst	catalyst	NOUN
ajset-646	20	69	design	design	NOUN
ajset-646	20	70	;	;	PUNCT
ajset-646	20	71	section	section	NOUN
ajset-646	20	72	iv	iv	NUM
ajset-646	20	73	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	20	74	academic	academic	ADJ
ajset-646	20	75	journal	journal	NOUN
ajset-646	20	76	of	of	ADP
ajset-646	20	77	science	science	NOUN
ajset-646	20	78	,	,	PUNCT
ajset-646	20	79	engineering	engineering	NOUN
ajset-646	20	80	and	and	CCONJ
ajset-646	20	81	technology	technology	NOUN
ajset-646	20	82	vol.6	vol.6	PROPN
ajset-646	20	83	,	,	PUNCT
ajset-646	20	84	issue	issue	NOUN
ajset-646	20	85	5	5	NUM
ajset-646	20	86	;	;	PUNCT
ajset-646	20	87	september	september	PROPN
ajset-646	20	88	october	october	PROPN
ajset-646	20	89	2021	2021	NUM
ajset-646	20	90	;	;	PUNCT
ajset-646	20	91	1252	1252	NUM
ajset-646	20	92	columbia	columbia	PROPN
ajset-646	20	93	rd	rd	PROPN
ajset-646	20	94	nw	nw	PROPN
ajset-646	20	95	,	,	PUNCT
ajset-646	20	96	washington	washington	PROPN
ajset-646	20	97	dc	dc	PROPN
ajset-646	20	98	,	,	PUNCT
ajset-646	20	99	united	united	PROPN
ajset-646	20	100	states	states	PROPN
ajset-646	20	101	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	20	102	;	;	PUNCT
ajset-646	20	103	mail	mail	NOUN
ajset-646	20	104	:	:	PUNCT
ajset-646	21	1	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	21	2	2	2	NUM
ajset-646	22	1	|	|	ADV
ajset-646	22	2	a	a	DET
ajset-646	22	3	c	c	NOUN
ajset-646	22	4	a	a	PRON
ajset-646	22	5	d	d	X
ajset-646	22	6	e	e	NOUN
ajset-646	22	7	m	m	NOUN
ajset-646	22	8	i	i	NOUN
ajset-646	22	9	c	c	NOUN
ajset-646	22	10	j	j	NOUN
ajset-646	22	11	o	o	X
ajset-646	22	12	u	u	NOUN
ajset-646	22	13	r	r	NOUN
ajset-646	22	14	n	n	NOUN
ajset-646	22	15	a	a	DET
ajset-646	22	16	l	l	NOUN
ajset-646	23	1	o	o	X
ajset-646	23	2	f	f	X
ajset-646	23	3	s	s	X
ajset-646	23	4	c	c	NOUN
ajset-646	24	1	i	i	NOUN
ajset-646	24	2	e	e	PROPN
ajset-646	24	3	n	n	PROPN
ajset-646	24	4	c	c	NOUN
ajset-646	24	5	e	e	X
ajset-646	24	6	,	,	PUNCT
ajset-646	24	7	e	e	PROPN
ajset-646	24	8	n	n	PRON
ajset-646	24	9	g	g	NOUN
ajset-646	24	10	i	i	PRON
ajset-646	24	11	n	n	VERB
ajset-646	24	12	e	e	NOUN
ajset-646	24	13	e	e	NOUN
ajset-646	24	14	r	r	VERB
ajset-646	24	15	i	i	PRON
ajset-646	24	16	n	n	CCONJ
ajset-646	24	17	g	g	PROPN
ajset-646	24	18	a	a	DET
ajset-646	24	19	n	n	NOUN
ajset-646	24	20	d	d	NOUN
ajset-646	24	21	t	t	NOUN
ajset-646	24	22	e	e	X
ajset-646	24	23	c	c	NOUN
ajset-646	24	24	h	h	NOUN
ajset-646	24	25	n	n	ADV
ajset-646	24	26	o	o	NOUN
ajset-646	24	27	l	l	NOUN
ajset-646	25	1	o	o	X
ajset-646	25	2	g	g	NOUN
ajset-646	25	3	y	y	PROPN
ajset-646	25	4	|	|	ADV
ajset-646	25	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	25	6	(	(	PUNCT
ajset-646	25	7	results	result	NOUN
ajset-646	25	8	)	)	PUNCT
ajset-646	25	9	first	first	ADV
ajset-646	25	10	introduces	introduce	VERB
ajset-646	25	11	the	the	DET
ajset-646	25	12	proposed	propose	VERB
ajset-646	25	13	mechanistic	mechanistic	ADJ
ajset-646	25	14	routes	route	NOUN
ajset-646	25	15	of	of	ADP
ajset-646	25	16	h2	h2	NOUN
ajset-646	25	17	oxidation	oxidation	NOUN
ajset-646	25	18	and	and	CCONJ
ajset-646	25	19	production	production	NOUN
ajset-646	25	20	and	and	CCONJ
ajset-646	25	21	describes	describe	VERB
ajset-646	25	22	the	the	DET
ajset-646	25	23	intermediates	intermediate	NOUN
ajset-646	25	24	.	.	PUNCT
ajset-646	26	1	using	use	VERB
ajset-646	26	2	these	these	DET
ajset-646	26	3	intermediates	intermediate	NOUN
ajset-646	26	4	as	as	ADP
ajset-646	26	5	the	the	DET
ajset-646	26	6	reference	reference	NOUN
ajset-646	26	7	compound	compound	NOUN
ajset-646	26	8	,	,	PUNCT
ajset-646	26	9	free	free	ADJ
ajset-646	26	10	-	-	PUNCT
ajset-646	26	11	energy	energy	NOUN
ajset-646	26	12	profiles	profile	NOUN
ajset-646	26	13	are	be	AUX
ajset-646	26	14	calculated	calculate	VERB
ajset-646	26	15	to	to	PART
ajset-646	26	16	establish	establish	VERB
ajset-646	26	17	the	the	DET
ajset-646	26	18	favored	favor	VERB
ajset-646	26	19	mechanistic	mechanistic	ADJ
ajset-646	26	20	route	route	NOUN
ajset-646	26	21	.	.	PUNCT
ajset-646	27	1	next	next	ADP
ajset-646	27	2	this	this	DET
ajset-646	27	3	section	section	NOUN
ajset-646	27	4	summarizes	summarize	VERB
ajset-646	27	5	the	the	DET
ajset-646	27	6	properties	property	NOUN
ajset-646	27	7	of	of	ADP
ajset-646	27	8	calculated	calculate	VERB
ajset-646	27	9	coupled	couple	VERB
ajset-646	27	10	pourbaix	pourbaix	NOUN
ajset-646	27	11	diagrams	diagram	NOUN
ajset-646	27	12	which	which	PRON
ajset-646	27	13	illustrate	illustrate	VERB
ajset-646	27	14	the	the	DET
ajset-646	27	15	optimal	optimal	ADJ
ajset-646	27	16	electrochemical	electrochemical	ADJ
ajset-646	27	17	operating	operating	NOUN
ajset-646	27	18	regimes	regime	NOUN
ajset-646	27	19	for	for	ADP
ajset-646	27	20	the	the	DET
ajset-646	27	21	catalyst	catalyst	NOUN
ajset-646	27	22	.	.	PUNCT
ajset-646	28	1	section	section	NOUN
ajset-646	28	2	v	v	PROPN
ajset-646	28	3	(	(	PUNCT
ajset-646	28	4	conclusion	conclusion	NOUN
ajset-646	28	5	)	)	PUNCT
ajset-646	28	6	summarizes	summarize	VERB
ajset-646	28	7	the	the	DET
ajset-646	28	8	work	work	NOUN
ajset-646	28	9	and	and	CCONJ
ajset-646	28	10	attempts	attempt	VERB
ajset-646	28	11	to	to	PART
ajset-646	28	12	identify	identify	VERB
ajset-646	28	13	trends	trend	NOUN
ajset-646	28	14	in	in	ADP
ajset-646	28	15	the	the	DET
ajset-646	28	16	results	result	NOUN
ajset-646	28	17	.	.	PUNCT
ajset-646	29	1	2	2	X
ajset-646	29	2	.	.	X
ajset-646	29	3	background	background	NOUN
ajset-646	29	4	/	/	SYM
ajset-646	29	5	motivation	motivation	NOUN
ajset-646	29	6	catalysts	catalyst	NOUN
ajset-646	29	7	for	for	ADP
ajset-646	29	8	hydrogen	hydrogen	NOUN
ajset-646	29	9	production	production	NOUN
ajset-646	29	10	and	and	CCONJ
ajset-646	29	11	oxidation	oxidation	NOUN
ajset-646	29	12	which	which	PRON
ajset-646	29	13	utilize	utilize	VERB
ajset-646	29	14	metal	metal	NOUN
ajset-646	29	15	centers	center	NOUN
ajset-646	29	16	coordinated	coordinate	VERB
ajset-646	29	17	by	by	ADP
ajset-646	29	18	diphosphine	diphosphine	ADJ
ajset-646	29	19	ligands	ligand	NOUN
ajset-646	29	20	with	with	ADP
ajset-646	29	21	nitrogen	nitrogen	PROPN
ajset-646	29	22	pendent	pendent	NOUN
ajset-646	29	23	bases	basis	NOUN
ajset-646	29	24	have	have	AUX
ajset-646	29	25	been	be	AUX
ajset-646	29	26	explored	explore	VERB
ajset-646	29	27	by	by	ADP
ajset-646	29	28	several	several	ADJ
ajset-646	29	29	experimental	experimental	ADJ
ajset-646	29	30	groups.9	groups.9	NOUN
ajset-646	29	31	-	-	PUNCT
ajset-646	29	32	14	14	NUM
ajset-646	29	33	a	a	DET
ajset-646	29	34	recent	recent	ADJ
ajset-646	29	35	review	review	NOUN
ajset-646	29	36	summarizes	summarize	VERB
ajset-646	29	37	a	a	DET
ajset-646	29	38	series	series	NOUN
ajset-646	29	39	of	of	ADP
ajset-646	29	40	hydrogenase	hydrogenase	ADJ
ajset-646	29	41	mimics	mimic	NOUN
ajset-646	29	42	utilizing	utilize	VERB
ajset-646	29	43	nickel	nickel	NOUN
ajset-646	29	44	and	and	CCONJ
ajset-646	29	45	cobalt	cobalt	NOUN
ajset-646	29	46	transition	transition	NOUN
ajset-646	29	47	metals.15	metals.15	NOUN
ajset-646	29	48	these	these	DET
ajset-646	29	49	catalysts	catalyst	NOUN
ajset-646	29	50	bear	bear	VERB
ajset-646	29	51	some	some	DET
ajset-646	29	52	structural	structural	ADJ
ajset-646	29	53	resemblance	resemblance	NOUN
ajset-646	29	54	to	to	ADP
ajset-646	29	55	the	the	DET
ajset-646	29	56	active	active	ADJ
ajset-646	29	57	site	site	NOUN
ajset-646	29	58	of	of	ADP
ajset-646	29	59	hydrogenase	hydrogenase	ADJ
ajset-646	29	60	enzymes	enzyme	NOUN
ajset-646	29	61	;	;	PUNCT
ajset-646	29	62	they	they	PRON
ajset-646	29	63	employ	employ	VERB
ajset-646	29	64	a	a	DET
ajset-646	29	65	nickel	nickel	NOUN
ajset-646	29	66	metal	metal	NOUN
ajset-646	29	67	center	center	NOUN
ajset-646	29	68	as	as	ADP
ajset-646	29	69	in	in	ADP
ajset-646	29	70	the	the	DET
ajset-646	29	71	ni	ni	PROPN
ajset-646	29	72	-	-	PUNCT
ajset-646	29	73	fe	fe	NOUN
ajset-646	29	74	hydrogenase	hydrogenase	NOUN
ajset-646	29	75	,	,	PUNCT
ajset-646	29	76	but	but	CCONJ
ajset-646	29	77	only	only	ADV
ajset-646	29	78	a	a	DET
ajset-646	29	79	single	single	ADJ
ajset-646	29	80	metal	metal	NOUN
ajset-646	29	81	center	center	NOUN
ajset-646	29	82	at	at	ADP
ajset-646	29	83	which	which	PRON
ajset-646	29	84	hydrogen	hydrogen	NOUN
ajset-646	29	85	oxidation	oxidation	NOUN
ajset-646	29	86	and	and	CCONJ
ajset-646	29	87	production	production	NOUN
ajset-646	29	88	occurs	occur	VERB
ajset-646	29	89	.	.	PUNCT
ajset-646	30	1	crystal	crystal	NOUN
ajset-646	30	2	structures	structure	NOUN
ajset-646	30	3	have	have	AUX
ajset-646	30	4	been	be	AUX
ajset-646	30	5	characterized	characterize	VERB
ajset-646	30	6	for	for	ADP
ajset-646	30	7	these	these	DET
ajset-646	30	8	catalysts	catalyst	NOUN
ajset-646	30	9	that	that	PRON
ajset-646	30	10	indicate	indicate	VERB
ajset-646	30	11	that	that	SCONJ
ajset-646	30	12	the	the	DET
ajset-646	30	13	nickel	nickel	NOUN
ajset-646	30	14	center	center	NOUN
ajset-646	30	15	is	be	AUX
ajset-646	30	16	in	in	ADP
ajset-646	30	17	a	a	DET
ajset-646	30	18	4	4	NUM
ajset-646	30	19	-	-	PUNCT
ajset-646	30	20	coordinate	coordinate	NOUN
ajset-646	30	21	configuration	configuration	NOUN
ajset-646	30	22	with	with	ADP
ajset-646	30	23	the	the	DET
ajset-646	30	24	two	two	NUM
ajset-646	30	25	diphosphine	diphosphine	ADJ
ajset-646	30	26	ligands	ligand	NOUN
ajset-646	30	27	,	,	PUNCT
ajset-646	30	28	indicative	indicative	ADJ
ajset-646	30	29	of	of	ADP
ajset-646	30	30	the	the	DET
ajset-646	30	31	niii	niii	NOUN
ajset-646	30	32	oxidation	oxidation	NOUN
ajset-646	30	33	state.10,14,16	state.10,14,16	NOUN
ajset-646	30	34	-	-	SYM
ajset-646	30	35	19	19	NUM
ajset-646	30	36	the	the	DET
ajset-646	30	37	diphosphine	diphosphine	ADJ
ajset-646	30	38	ligands	ligand	NOUN
ajset-646	30	39	and	and	CCONJ
ajset-646	30	40	alkyl	alkyl	NOUN
ajset-646	30	41	group	group	NOUN
ajset-646	30	42	substituents	substituent	NOUN
ajset-646	30	43	are	be	AUX
ajset-646	30	44	oriented	orient	VERB
ajset-646	30	45	to	to	PART
ajset-646	30	46	place	place	VERB
ajset-646	30	47	nitrogen	nitrogen	NOUN
ajset-646	30	48	atoms	atom	NOUN
ajset-646	30	49	at	at	ADP
ajset-646	30	50	a	a	DET
ajset-646	30	51	distance	distance	NOUN
ajset-646	30	52	of	of	ADP
ajset-646	30	53	around	around	ADP
ajset-646	30	54	3.4	3.4	NUM
ajset-646	30	55	å	å	NOUN
ajset-646	30	56	from	from	ADP
ajset-646	30	57	the	the	DET
ajset-646	30	58	metal	metal	NOUN
ajset-646	30	59	center	center	NOUN
ajset-646	30	60	.	.	PUNCT
ajset-646	31	1	fig.1	fig.1	PROPN
ajset-646	31	2	.	.	PUNCT
ajset-646	31	3	compound	compound	PROPN
ajset-646	31	4	a	a	PRON
ajset-646	31	5	,	,	PUNCT
ajset-646	31	6	[	[	X
ajset-646	31	7	ni	ni	X
ajset-646	31	8	(	(	PUNCT
ajset-646	31	9	pph	pph	PROPN
ajset-646	31	10	2n	2n	PROPN
ajset-646	31	11	ph	ph	PROPN
ajset-646	31	12	2)2(ch3cn)](bf4)2	2)2(ch3cn)](bf4)2	NUM
ajset-646	31	13	where	where	SCONJ
ajset-646	31	14	pph	pph	PROPN
ajset-646	31	15	2n	2n	X
ajset-646	31	16	ph	ph	PROPN
ajset-646	31	17	2	2	NUM
ajset-646	31	18	is	be	AUX
ajset-646	31	19	1,3,5,7tetraphenyl-1,5	1,3,5,7tetraphenyl-1,5	NUM
ajset-646	31	20	-	-	PUNCT
ajset-646	31	21	diaza-3,7	diaza-3,7	NOUN
ajset-646	31	22	diphosphacyclooctane	diphosphacyclooctane	NOUN
ajset-646	31	23	,	,	PUNCT
ajset-646	31	24	has	have	VERB
ajset-646	31	25	phenyl	phenyl	NOUN
ajset-646	31	26	groups	group	NOUN
ajset-646	31	27	attached	attach	VERB
ajset-646	31	28	to	to	ADP
ajset-646	31	29	the	the	DET
ajset-646	31	30	phosphorous	phosphorous	ADJ
ajset-646	31	31	and	and	CCONJ
ajset-646	31	32	nitrogen	nitrogen	NOUN
ajset-646	31	33	base	base	NOUN
ajset-646	31	34	sites	site	NOUN
ajset-646	31	35	and	and	CCONJ
ajset-646	31	36	an	an	DET
ajset-646	31	37	explicit	explicit	ADJ
ajset-646	31	38	acetonitrile	acetonitrile	NOUN
ajset-646	31	39	ligated	ligate	VERB
ajset-646	31	40	to	to	ADP
ajset-646	31	41	the	the	DET
ajset-646	31	42	metal	metal	NOUN
ajset-646	31	43	center.20,21	center.20,21	NOUN
ajset-646	31	44	compound	compound	VERB
ajset-646	31	45	a	a	PRON
ajset-646	31	46	has	have	AUX
ajset-646	31	47	been	be	AUX
ajset-646	31	48	shown	show	VERB
ajset-646	31	49	to	to	PART
ajset-646	31	50	perform	perform	VERB
ajset-646	31	51	best	good	ADJ
ajset-646	31	52	as	as	ADP
ajset-646	31	53	an	an	DET
ajset-646	31	54	h2	h2	NOUN
ajset-646	31	55	production	production	NOUN
ajset-646	31	56	catalyst	catalyst	NOUN
ajset-646	31	57	.	.	PUNCT
ajset-646	32	1	compound	compound	PROPN
ajset-646	32	2	b	b	PROPN
ajset-646	32	3	,	,	PUNCT
ajset-646	32	4	[	[	X
ajset-646	32	5	ni	ni	PROPN
ajset-646	32	6	(	(	PUNCT
ajset-646	32	7	pcy	pcy	PROPN
ajset-646	32	8	2n	2n	PROPN
ajset-646	32	9	bz	bz	PROPN
ajset-646	32	10	2)2](bf4)2	2)2](bf4)2	PROPN
ajset-646	32	11	,	,	PUNCT
ajset-646	32	12	has	have	VERB
ajset-646	32	13	cyclohexyl	cyclohexyl	PROPN
ajset-646	32	14	(	(	PUNCT
ajset-646	32	15	cy	cy	NOUN
ajset-646	32	16	)	)	PUNCT
ajset-646	32	17	groups	group	NOUN
ajset-646	32	18	on	on	ADP
ajset-646	32	19	phosphorous	phosphorous	ADJ
ajset-646	32	20	and	and	CCONJ
ajset-646	32	21	benzyl	benzyl	NOUN
ajset-646	32	22	(	(	PUNCT
ajset-646	32	23	bz	bz	NOUN
ajset-646	32	24	)	)	PUNCT
ajset-646	32	25	groups	group	NOUN
ajset-646	32	26	on	on	ADP
ajset-646	32	27	the	the	DET
ajset-646	32	28	nitrogen	nitrogen	NOUN
ajset-646	32	29	base	base	NOUN
ajset-646	32	30	sites	site	NOUN
ajset-646	32	31	and	and	CCONJ
ajset-646	32	32	has	have	AUX
ajset-646	32	33	been	be	AUX
ajset-646	32	34	shown	show	VERB
ajset-646	32	35	to	to	PART
ajset-646	32	36	perform	perform	VERB
ajset-646	32	37	best	good	ADJ
ajset-646	32	38	as	as	ADP
ajset-646	32	39	an	an	DET
ajset-646	32	40	h2	h2	NOUN
ajset-646	32	41	oxidation	oxidation	NOUN
ajset-646	32	42	catalyst	catalyst	NOUN
ajset-646	32	43	.	.	PUNCT
ajset-646	33	1	however	however	ADV
ajset-646	33	2	,	,	PUNCT
ajset-646	33	3	the	the	DET
ajset-646	33	4	turnover	turnover	NOUN
ajset-646	33	5	frequency	frequency	NOUN
ajset-646	33	6	for	for	ADP
ajset-646	33	7	these	these	DET
ajset-646	33	8	models	model	NOUN
ajset-646	33	9	is	be	AUX
ajset-646	33	10	still	still	ADV
ajset-646	33	11	well	well	ADV
ajset-646	33	12	below	below	ADP
ajset-646	33	13	that	that	PRON
ajset-646	33	14	of	of	ADP
ajset-646	33	15	the	the	DET
ajset-646	33	16	ni	ni	PROPN
ajset-646	33	17	-	-	PUNCT
ajset-646	33	18	fe	fe	ADJ
ajset-646	33	19	hydrogenase	hydrogenase	NOUN
ajset-646	33	20	enzyme	enzyme	NOUN
ajset-646	33	21	.	.	PUNCT
ajset-646	34	1	the	the	DET
ajset-646	34	2	natural	natural	ADJ
ajset-646	34	3	enzyme	enzyme	NOUN
ajset-646	34	4	has	have	VERB
ajset-646	34	5	turnover	turnover	NOUN
ajset-646	34	6	rates	rate	NOUN
ajset-646	34	7	of	of	ADP
ajset-646	34	8	700	700	NUM
ajset-646	34	9	s-1,20,22	s-1,20,22	NOUN
ajset-646	34	10	while	while	SCONJ
ajset-646	34	11	compound	compound	NOUN
ajset-646	34	12	a	a	PRON
ajset-646	34	13	has	have	VERB
ajset-646	34	14	a	a	DET
ajset-646	34	15	turnover	turnover	NOUN
ajset-646	34	16	rate	rate	NOUN
ajset-646	34	17	of	of	ADP
ajset-646	34	18	350	350	NUM
ajset-646	34	19	s-1	s-1	NOUN
ajset-646	34	20	and	and	CCONJ
ajset-646	34	21	compound	compound	NOUN
ajset-646	34	22	b	b	PROPN
ajset-646	34	23	has	have	VERB
ajset-646	34	24	a	a	DET
ajset-646	34	25	turnover	turnover	NOUN
ajset-646	34	26	rate	rate	NOUN
ajset-646	34	27	of	of	ADP
ajset-646	34	28	10	10	NUM
ajset-646	34	29	s-1.20,21	s-1.20,21	NOUN
ajset-646	34	30	the	the	DET
ajset-646	34	31	availability	availability	NOUN
ajset-646	34	32	of	of	ADP
ajset-646	34	33	the	the	DET
ajset-646	34	34	experimental	experimental	ADJ
ajset-646	34	35	structural	structural	NOUN
ajset-646	34	36	and	and	CCONJ
ajset-646	34	37	some	some	DET
ajset-646	34	38	kinetic	kinetic	ADJ
ajset-646	34	39	data	datum	NOUN
ajset-646	34	40	offers	offer	VERB
ajset-646	34	41	a	a	DET
ajset-646	34	42	good	good	ADJ
ajset-646	34	43	opportunity	opportunity	NOUN
ajset-646	34	44	for	for	SCONJ
ajset-646	34	45	theoretical	theoretical	ADJ
ajset-646	34	46	methods	method	NOUN
ajset-646	34	47	to	to	PART
ajset-646	34	48	be	be	AUX
ajset-646	34	49	used	use	VERB
ajset-646	34	50	to	to	PART
ajset-646	34	51	characterize	characterize	VERB
ajset-646	34	52	the	the	DET
ajset-646	34	53	effect	effect	NOUN
ajset-646	34	54	of	of	ADP
ajset-646	34	55	various	various	ADJ
ajset-646	34	56	features	feature	NOUN
ajset-646	34	57	,	,	PUNCT
ajset-646	34	58	or	or	CCONJ
ajset-646	34	59	design	design	NOUN
ajset-646	34	60	principles	principle	NOUN
ajset-646	34	61	,	,	PUNCT
ajset-646	34	62	for	for	ADP
ajset-646	34	63	such	such	ADJ
ajset-646	34	64	catalysts	catalyst	NOUN
ajset-646	34	65	,	,	PUNCT
ajset-646	34	66	and	and	CCONJ
ajset-646	34	67	to	to	PART
ajset-646	34	68	understand	understand	VERB
ajset-646	34	69	which	which	DET
ajset-646	34	70	effects	effect	NOUN
ajset-646	34	71	are	be	AUX
ajset-646	34	72	likely	likely	ADJ
ajset-646	34	73	to	to	PART
ajset-646	34	74	have	have	VERB
ajset-646	34	75	the	the	DET
ajset-646	34	76	greatest	great	ADJ
ajset-646	34	77	influence	influence	NOUN
ajset-646	34	78	in	in	ADP
ajset-646	34	79	the	the	DET
ajset-646	34	80	reversibility	reversibility	NOUN
ajset-646	34	81	and	and	CCONJ
ajset-646	34	82	efficiency	efficiency	NOUN
ajset-646	34	83	of	of	ADP
ajset-646	34	84	future	future	ADJ
ajset-646	34	85	designs	design	NOUN
ajset-646	34	86	.	.	PUNCT
ajset-646	35	1	using	use	VERB
ajset-646	35	2	density	density	NOUN
ajset-646	35	3	functional	functional	ADJ
ajset-646	35	4	theory	theory	NOUN
ajset-646	35	5	coupled	couple	VERB
ajset-646	35	6	to	to	PART
ajset-646	35	7	implicit	implicit	ADJ
ajset-646	35	8	solvation	solvation	NOUN
ajset-646	35	9	schemes,23	schemes,23	NOUN
ajset-646	35	10	the	the	DET
ajset-646	35	11	freeenergy	freeenergy	NOUN
ajset-646	35	12	profiles	profile	NOUN
ajset-646	35	13	of	of	ADP
ajset-646	35	14	proposed	propose	VERB
ajset-646	35	15	mechanistic	mechanistic	ADJ
ajset-646	35	16	routes	route	NOUN
ajset-646	35	17	,	,	PUNCT
ajset-646	35	18	as	as	ADV
ajset-646	35	19	well	well	ADV
ajset-646	35	20	as	as	ADP
ajset-646	35	21	the	the	DET
ajset-646	35	22	associated	associated	ADJ
ajset-646	35	23	pka	pka	PROPN
ajset-646	35	24	values	value	NOUN
ajset-646	35	25	and	and	CCONJ
ajset-646	35	26	reduction	reduction	NOUN
ajset-646	35	27	potentials	potential	NOUN
ajset-646	35	28	(	(	PUNCT
ajset-646	35	29	e1/2	e1/2	PROPN
ajset-646	35	30	)	)	PUNCT
ajset-646	35	31	,	,	PUNCT
ajset-646	35	32	have	have	AUX
ajset-646	35	33	been	be	AUX
ajset-646	35	34	calculated	calculate	VERB
ajset-646	35	35	for	for	ADP
ajset-646	35	36	computational	computational	ADJ
ajset-646	35	37	models	model	NOUN
ajset-646	35	38	of	of	ADP
ajset-646	35	39	a	a	DET
ajset-646	35	40	and	and	CCONJ
ajset-646	35	41	b.	b.	PROPN
ajset-646	35	42	fig	fig	PROPN
ajset-646	35	43	.	.	PUNCT
ajset-646	36	1	1	1	NUM
ajset-646	36	2	:	:	PUNCT
ajset-646	36	3	crystal	crystal	NOUN
ajset-646	36	4	structures	structure	NOUN
ajset-646	36	5	from	from	ADP
ajset-646	36	6	dubois	dubois	PROPN
ajset-646	36	7	references	reference	NOUN
ajset-646	36	8	are	be	AUX
ajset-646	36	9	:	:	PUNCT
ajset-646	36	10	(	(	PUNCT
ajset-646	36	11	a	a	X
ajset-646	36	12	)	)	PUNCT
ajset-646	36	13	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	36	14	academic	academic	ADJ
ajset-646	36	15	journal	journal	NOUN
ajset-646	36	16	of	of	ADP
ajset-646	36	17	science	science	NOUN
ajset-646	36	18	,	,	PUNCT
ajset-646	36	19	engineering	engineering	NOUN
ajset-646	36	20	and	and	CCONJ
ajset-646	36	21	technology	technology	NOUN
ajset-646	36	22	vol.6	vol.6	PROPN
ajset-646	36	23	,	,	PUNCT
ajset-646	36	24	issue	issue	NOUN
ajset-646	36	25	5	5	NUM
ajset-646	36	26	;	;	PUNCT
ajset-646	36	27	september	september	PROPN
ajset-646	36	28	october	october	PROPN
ajset-646	36	29	2021	2021	NUM
ajset-646	36	30	;	;	PUNCT
ajset-646	36	31	1252	1252	NUM
ajset-646	36	32	columbia	columbia	PROPN
ajset-646	36	33	rd	rd	PROPN
ajset-646	36	34	nw	nw	PROPN
ajset-646	36	35	,	,	PUNCT
ajset-646	36	36	washington	washington	PROPN
ajset-646	36	37	dc	dc	PROPN
ajset-646	36	38	,	,	PUNCT
ajset-646	36	39	united	united	PROPN
ajset-646	36	40	states	states	PROPN
ajset-646	36	41	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	36	42	;	;	PUNCT
ajset-646	36	43	mail	mail	NOUN
ajset-646	36	44	:	:	PUNCT
ajset-646	37	1	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	37	2	3	3	NUM
ajset-646	38	1	|	|	ADV
ajset-646	38	2	a	a	DET
ajset-646	38	3	c	c	NOUN
ajset-646	38	4	a	a	PRON
ajset-646	38	5	d	d	X
ajset-646	38	6	e	e	NOUN
ajset-646	38	7	m	m	NOUN
ajset-646	38	8	i	i	NOUN
ajset-646	38	9	c	c	NOUN
ajset-646	38	10	j	j	NOUN
ajset-646	38	11	o	o	X
ajset-646	38	12	u	u	NOUN
ajset-646	38	13	r	r	NOUN
ajset-646	38	14	n	n	NOUN
ajset-646	38	15	a	a	DET
ajset-646	38	16	l	l	NOUN
ajset-646	39	1	o	o	X
ajset-646	39	2	f	f	X
ajset-646	39	3	s	s	X
ajset-646	39	4	c	c	NOUN
ajset-646	40	1	i	i	NOUN
ajset-646	40	2	e	e	PROPN
ajset-646	40	3	n	n	PROPN
ajset-646	40	4	c	c	NOUN
ajset-646	40	5	e	e	X
ajset-646	40	6	,	,	PUNCT
ajset-646	40	7	e	e	PROPN
ajset-646	40	8	n	n	PRON
ajset-646	40	9	g	g	NOUN
ajset-646	40	10	i	i	PRON
ajset-646	40	11	n	n	VERB
ajset-646	40	12	e	e	NOUN
ajset-646	40	13	e	e	NOUN
ajset-646	40	14	r	r	VERB
ajset-646	40	15	i	i	PRON
ajset-646	40	16	n	n	CCONJ
ajset-646	40	17	g	g	PROPN
ajset-646	40	18	a	a	DET
ajset-646	40	19	n	n	NOUN
ajset-646	40	20	d	d	NOUN
ajset-646	40	21	t	t	NOUN
ajset-646	40	22	e	e	X
ajset-646	40	23	c	c	NOUN
ajset-646	40	24	h	h	NOUN
ajset-646	40	25	n	n	ADV
ajset-646	40	26	o	o	NOUN
ajset-646	40	27	l	l	NOUN
ajset-646	41	1	o	o	X
ajset-646	41	2	g	g	NOUN
ajset-646	41	3	y	y	PROPN
ajset-646	41	4	|	|	ADV
ajset-646	41	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	41	6	[	[	X
ajset-646	41	7	ni(pph	ni(pph	PROPN
ajset-646	41	8	2n	2n	NUM
ajset-646	41	9	ph	ph	PROPN
ajset-646	41	10	2)2(ch3cn)](bf4)2	2)2(ch3cn)](bf4)2	NUM
ajset-646	41	11	pph	pph	PROPN
ajset-646	41	12	2n	2n	NUM
ajset-646	41	13	ph	ph	PROPN
ajset-646	41	14	2	2	NUM
ajset-646	41	15	=	=	SYM
ajset-646	41	16	1,3,5,7	1,3,5,7	NUM
ajset-646	41	17	-	-	PUNCT
ajset-646	41	18	tetraphenyl-1,5	tetraphenyl-1,5	ADV
ajset-646	41	19	-	-	PUNCT
ajset-646	41	20	diaza-3,7diphosphacyclooctane	diaza-3,7diphosphacyclooctane	NOUN
ajset-646	41	21	,	,	PUNCT
ajset-646	41	22	shown	show	VERB
ajset-646	41	23	to	to	PART
ajset-646	41	24	work	work	VERB
ajset-646	41	25	in	in	ADP
ajset-646	41	26	the	the	DET
ajset-646	41	27	h2	h2	NOUN
ajset-646	41	28	production	production	NOUN
ajset-646	41	29	direction	direction	NOUN
ajset-646	41	30	;	;	PUNCT
ajset-646	41	31	and	and	CCONJ
ajset-646	41	32	(	(	PUNCT
ajset-646	41	33	b	b	X
ajset-646	41	34	)	)	PUNCT
ajset-646	41	35	[	[	X
ajset-646	41	36	ni(pcy	ni(pcy	ADJ
ajset-646	41	37	2n	2n	ADJ
ajset-646	41	38	bz	bz	PROPN
ajset-646	41	39	2)2	2)2	PROPN
ajset-646	41	40	]	]	PUNCT
ajset-646	41	41	shown	show	VERB
ajset-646	41	42	to	to	PART
ajset-646	41	43	work	work	VERB
ajset-646	41	44	in	in	ADP
ajset-646	41	45	the	the	DET
ajset-646	41	46	h2	h2	NOUN
ajset-646	41	47	oxidation	oxidation	NOUN
ajset-646	41	48	direction	direction	NOUN
ajset-646	41	49	.	.	PUNCT
ajset-646	42	1	3	3	X
ajset-646	42	2	.	.	X
ajset-646	42	3	method	method	PROPN
ajset-646	42	4	a.	a.	PROPN
ajset-646	42	5	computational	computational	PROPN
ajset-646	42	6	method	method	NOUN
ajset-646	42	7	density	density	NOUN
ajset-646	42	8	functional	functional	ADJ
ajset-646	42	9	theory	theory	NOUN
ajset-646	42	10	(	(	PUNCT
ajset-646	42	11	dft	dft	NOUN
ajset-646	42	12	)	)	PUNCT
ajset-646	42	13	was	be	AUX
ajset-646	42	14	employed	employ	VERB
ajset-646	42	15	using	use	VERB
ajset-646	42	16	the	the	DET
ajset-646	42	17	hybrid	hybrid	ADJ
ajset-646	42	18	functional	functional	ADJ
ajset-646	42	19	b3lyp24	b3lyp24	PROPN
ajset-646	42	20	-	-	PUNCT
ajset-646	42	21	26	26	NUM
ajset-646	42	22	and	and	CCONJ
ajset-646	42	23	a	a	DET
ajset-646	42	24	6	6	NUM
ajset-646	42	25	-	-	PUNCT
ajset-646	42	26	31g(d	31g(d	NUM
ajset-646	42	27	,	,	PUNCT
ajset-646	42	28	p	p	NOUN
ajset-646	42	29	)	)	PUNCT
ajset-646	42	30	(	(	PUNCT
ajset-646	42	31	5d	5d	NUM
ajset-646	42	32	,	,	PUNCT
ajset-646	42	33	7f	7f	NUM
ajset-646	42	34	)	)	PUNCT
ajset-646	42	35	basis	basis	NOUN
ajset-646	42	36	set	set	VERB
ajset-646	42	37	in	in	ADP
ajset-646	42	38	the	the	DET
ajset-646	42	39	gaussian	gaussian	ADJ
ajset-646	42	40	03	03	NUM
ajset-646	42	41	program	program	NOUN
ajset-646	42	42	package.27,28	package.27,28	NOUN
ajset-646	42	43	frequency	frequency	NOUN
ajset-646	42	44	calculations	calculation	NOUN
ajset-646	42	45	were	be	AUX
ajset-646	42	46	performed	perform	VERB
ajset-646	42	47	at	at	ADP
ajset-646	42	48	the	the	DET
ajset-646	42	49	optimized	optimize	VERB
ajset-646	42	50	geometries	geometry	NOUN
ajset-646	42	51	to	to	PART
ajset-646	42	52	confirm	confirm	VERB
ajset-646	42	53	minimum	minimum	ADJ
ajset-646	42	54	geometries	geometry	NOUN
ajset-646	42	55	and	and	CCONJ
ajset-646	42	56	obtain	obtain	VERB
ajset-646	42	57	the	the	DET
ajset-646	42	58	sum	sum	NOUN
ajset-646	42	59	of	of	ADP
ajset-646	42	60	electronic	electronic	ADJ
ajset-646	42	61	and	and	CCONJ
ajset-646	42	62	thermal	thermal	ADJ
ajset-646	42	63	free	free	ADJ
ajset-646	42	64	energies	energy	NOUN
ajset-646	42	65	for	for	ADP
ajset-646	42	66	each	each	DET
ajset-646	42	67	species	specie	NOUN
ajset-646	42	68	.	.	PUNCT
ajset-646	43	1	atomic	atomic	ADJ
ajset-646	43	2	charge	charge	NOUN
ajset-646	43	3	and	and	CCONJ
ajset-646	43	4	spin	spin	NOUN
ajset-646	43	5	populations	population	NOUN
ajset-646	43	6	were	be	AUX
ajset-646	43	7	calculated	calculate	VERB
ajset-646	43	8	at	at	ADP
ajset-646	43	9	the	the	DET
ajset-646	43	10	optimized	optimize	VERB
ajset-646	43	11	geometry	geometry	NOUN
ajset-646	43	12	to	to	PART
ajset-646	43	13	confirm	confirm	VERB
ajset-646	43	14	the	the	DET
ajset-646	43	15	oxidation	oxidation	ADJ
ajset-646	43	16	state	state	NOUN
ajset-646	43	17	of	of	ADP
ajset-646	43	18	the	the	DET
ajset-646	43	19	metal	metal	NOUN
ajset-646	43	20	center	center	NOUN
ajset-646	43	21	and	and	CCONJ
ajset-646	43	22	charge	charge	NOUN
ajset-646	43	23	state	state	NOUN
ajset-646	43	24	of	of	ADP
ajset-646	43	25	the	the	DET
ajset-646	43	26	ligands	ligand	NOUN
ajset-646	43	27	.	.	PUNCT
ajset-646	44	1	to	to	PART
ajset-646	44	2	obtain	obtain	VERB
ajset-646	44	3	the	the	DET
ajset-646	44	4	free	free	ADJ
ajset-646	44	5	energy	energy	NOUN
ajset-646	44	6	of	of	ADP
ajset-646	44	7	solvation	solvation	NOUN
ajset-646	44	8	,	,	PUNCT
ajset-646	44	9	a	a	DET
ajset-646	44	10	conductor	conductor	NOUN
ajset-646	44	11	-	-	PUNCT
ajset-646	44	12	like	like	ADJ
ajset-646	44	13	polarizable	polarizable	ADJ
ajset-646	44	14	continuum	continuum	ADJ
ajset-646	44	15	model	model	NOUN
ajset-646	44	16	(	(	PUNCT
ajset-646	44	17	cpcm)29	cpcm)29	PROPN
ajset-646	44	18	-	-	PUNCT
ajset-646	44	19	32	32	NUM
ajset-646	44	20	was	be	AUX
ajset-646	44	21	used	use	VERB
ajset-646	44	22	to	to	PART
ajset-646	44	23	mimic	mimic	VERB
ajset-646	44	24	the	the	DET
ajset-646	44	25	solvent	solvent	NOUN
ajset-646	44	26	,	,	PUNCT
ajset-646	44	27	and	and	CCONJ
ajset-646	44	28	the	the	DET
ajset-646	44	29	radii	radius	NOUN
ajset-646	44	30	around	around	ADP
ajset-646	44	31	the	the	DET
ajset-646	44	32	solute	solute	NOUN
ajset-646	44	33	were	be	AUX
ajset-646	44	34	carefully	carefully	ADV
ajset-646	44	35	selected	select	VERB
ajset-646	44	36	in	in	ADP
ajset-646	44	37	such	such	DET
ajset-646	44	38	a	a	DET
ajset-646	44	39	way	way	NOUN
ajset-646	44	40	that	that	PRON
ajset-646	44	41	charged	charge	VERB
ajset-646	44	42	species	specie	NOUN
ajset-646	44	43	achieved	achieve	VERB
ajset-646	44	44	greater	great	ADJ
ajset-646	44	45	interaction	interaction	NOUN
ajset-646	44	46	with	with	ADP
ajset-646	44	47	the	the	DET
ajset-646	44	48	continuum	continuum	NOUN
ajset-646	44	49	through	through	ADP
ajset-646	44	50	the	the	DET
ajset-646	44	51	use	use	NOUN
ajset-646	44	52	of	of	ADP
ajset-646	44	53	smaller	small	ADJ
ajset-646	44	54	solvation	solvation	NOUN
ajset-646	44	55	radii.32,33	radii.32,33	NOUN
ajset-646	44	56	in	in	ADP
ajset-646	44	57	this	this	DET
ajset-646	44	58	case	case	NOUN
ajset-646	44	59	,	,	PUNCT
ajset-646	44	60	bondi	bondi	PROPN
ajset-646	44	61	radii34	radii34	PROPN
ajset-646	44	62	were	be	AUX
ajset-646	44	63	used	use	VERB
ajset-646	44	64	,	,	PUNCT
ajset-646	44	65	and	and	CCONJ
ajset-646	44	66	two	two	NUM
ajset-646	44	67	parameters	parameter	NOUN
ajset-646	44	68	were	be	AUX
ajset-646	44	69	adjusted	adjust	VERB
ajset-646	44	70	to	to	PART
ajset-646	44	71	provide	provide	VERB
ajset-646	44	72	the	the	DET
ajset-646	44	73	lowest	low	ADJ
ajset-646	44	74	solvation	solvation	NOUN
ajset-646	44	75	free	free	ADJ
ajset-646	44	76	-	-	PUNCT
ajset-646	44	77	energy	energy	NOUN
ajset-646	44	78	possible	possible	ADJ
ajset-646	44	79	for	for	ADP
ajset-646	44	80	the	the	DET
ajset-646	44	81	model.35,36	model.35,36	NOUN
ajset-646	44	82	a	a	DET
ajset-646	44	83	sphere	sphere	NOUN
ajset-646	44	84	overlap	overlap	NOUN
ajset-646	44	85	index	index	NOUN
ajset-646	44	86	of	of	ADP
ajset-646	44	87	0.8å	0.8å	NUM
ajset-646	44	88	and	and	CCONJ
ajset-646	44	89	minimum	minimum	NOUN
ajset-646	44	90	radius	radius	NOUN
ajset-646	44	91	for	for	ADP
ajset-646	44	92	added	add	VERB
ajset-646	44	93	spheres	sphere	NOUN
ajset-646	44	94	of	of	ADP
ajset-646	44	95	0.5å	0.5å	NOUN
ajset-646	44	96	were	be	AUX
ajset-646	44	97	used	use	VERB
ajset-646	44	98	based	base	VERB
ajset-646	44	99	on	on	ADP
ajset-646	44	100	a	a	DET
ajset-646	44	101	series	series	NOUN
ajset-646	44	102	of	of	ADP
ajset-646	44	103	tests	test	NOUN
ajset-646	44	104	using	use	VERB
ajset-646	44	105	the	the	DET
ajset-646	44	106	same	same	ADJ
ajset-646	44	107	functional	functional	ADJ
ajset-646	44	108	and	and	CCONJ
ajset-646	44	109	basis	basis	NOUN
ajset-646	44	110	set	set	NOUN
ajset-646	44	111	.	.	PUNCT
ajset-646	45	1	both	both	DET
ajset-646	45	2	adjustments	adjustment	NOUN
ajset-646	45	3	result	result	VERB
ajset-646	45	4	in	in	ADP
ajset-646	45	5	a	a	DET
ajset-646	45	6	smaller	small	ADJ
ajset-646	45	7	number	number	NOUN
ajset-646	45	8	of	of	ADP
ajset-646	45	9	added	add	VERB
ajset-646	45	10	spheres	sphere	NOUN
ajset-646	45	11	.	.	PUNCT
ajset-646	46	1	without	without	ADP
ajset-646	46	2	these	these	DET
ajset-646	46	3	adjustments	adjustment	NOUN
ajset-646	46	4	,	,	PUNCT
ajset-646	46	5	the	the	DET
ajset-646	46	6	solvation	solvation	NOUN
ajset-646	46	7	free	free	ADJ
ajset-646	46	8	-	-	PUNCT
ajset-646	46	9	energy	energy	NOUN
ajset-646	46	10	remains	remain	VERB
ajset-646	46	11	too	too	ADV
ajset-646	46	12	high	high	ADJ
ajset-646	46	13	and	and	CCONJ
ajset-646	46	14	contributes	contribute	VERB
ajset-646	46	15	to	to	ADP
ajset-646	46	16	extremely	extremely	ADV
ajset-646	46	17	acidic	acidic	ADJ
ajset-646	46	18	pka	pka	PROPN
ajset-646	46	19	values	value	NOUN
ajset-646	46	20	,	,	PUNCT
ajset-646	46	21	not	not	PART
ajset-646	46	22	in	in	ADP
ajset-646	46	23	the	the	DET
ajset-646	46	24	range	range	NOUN
ajset-646	46	25	of	of	ADP
ajset-646	46	26	the	the	DET
ajset-646	46	27	known	know	VERB
ajset-646	46	28	experimental	experimental	ADJ
ajset-646	46	29	values.35,36	values.35,36	NOUN
ajset-646	46	30	lowering	lower	VERB
ajset-646	46	31	the	the	DET
ajset-646	46	32	solvation	solvation	NOUN
ajset-646	46	33	free	free	ADJ
ajset-646	46	34	-	-	PUNCT
ajset-646	46	35	energy	energy	NOUN
ajset-646	46	36	by	by	ADP
ajset-646	46	37	adjusting	adjust	VERB
ajset-646	46	38	these	these	DET
ajset-646	46	39	parameters	parameter	NOUN
ajset-646	46	40	calibrates	calibrate	VERB
ajset-646	46	41	our	our	PRON
ajset-646	46	42	method	method	NOUN
ajset-646	46	43	with	with	ADP
ajset-646	46	44	the	the	DET
ajset-646	46	45	experimental	experimental	ADJ
ajset-646	46	46	values	value	NOUN
ajset-646	46	47	of	of	ADP
ajset-646	46	48	the	the	DET
ajset-646	46	49	crystal	crystal	NOUN
ajset-646	46	50	structures	structure	NOUN
ajset-646	46	51	provided	provide	VERB
ajset-646	46	52	.	.	PUNCT
ajset-646	47	1	the	the	DET
ajset-646	47	2	only	only	ADJ
ajset-646	47	3	solvent	solvent	NOUN
ajset-646	47	4	considered	consider	VERB
ajset-646	47	5	throughout	throughout	ADP
ajset-646	47	6	this	this	DET
ajset-646	47	7	paper	paper	NOUN
ajset-646	47	8	is	be	AUX
ajset-646	47	9	acetonitrile	acetonitrile	ADJ
ajset-646	47	10	,	,	PUNCT
ajset-646	47	11	as	as	SCONJ
ajset-646	47	12	used	use	VERB
ajset-646	47	13	in	in	ADP
ajset-646	47	14	the	the	DET
ajset-646	47	15	experimental	experimental	ADJ
ajset-646	47	16	conditions	condition	NOUN
ajset-646	47	17	.	.	PUNCT
ajset-646	48	1	1	1	X
ajset-646	48	2	.	.	X
ajset-646	48	3	pourbaix	pourbaix	NOUN
ajset-646	48	4	diagrams	diagram	NOUN
ajset-646	48	5	used	use	VERB
ajset-646	48	6	for	for	ADP
ajset-646	48	7	proton	proton	NOUN
ajset-646	48	8	management	management	NOUN
ajset-646	48	9	.	.	PUNCT
ajset-646	49	1	with	with	ADP
ajset-646	49	2	the	the	DET
ajset-646	49	3	goal	goal	NOUN
ajset-646	49	4	of	of	ADP
ajset-646	49	5	understanding	understand	VERB
ajset-646	49	6	the	the	DET
ajset-646	49	7	mechanism	mechanism	NOUN
ajset-646	49	8	for	for	ADP
ajset-646	49	9	h2	h2	NOUN
ajset-646	49	10	oxidation	oxidation	NOUN
ajset-646	49	11	and	and	CCONJ
ajset-646	49	12	production	production	NOUN
ajset-646	49	13	in	in	ADP
ajset-646	49	14	hydrogenase	hydrogenase	NOUN
ajset-646	49	15	-	-	PUNCT
ajset-646	49	16	inspired	inspire	VERB
ajset-646	49	17	compounds	compound	NOUN
ajset-646	49	18	,	,	PUNCT
ajset-646	49	19	theory	theory	NOUN
ajset-646	49	20	and	and	CCONJ
ajset-646	49	21	experiment	experiment	NOUN
ajset-646	49	22	align	align	NOUN
ajset-646	49	23	to	to	PART
ajset-646	49	24	gain	gain	VERB
ajset-646	49	25	valuable	valuable	ADJ
ajset-646	49	26	insight	insight	NOUN
ajset-646	49	27	into	into	ADP
ajset-646	49	28	fundamental	fundamental	ADJ
ajset-646	49	29	processes	process	NOUN
ajset-646	49	30	in	in	ADP
ajset-646	49	31	these	these	DET
ajset-646	49	32	catalysts.7,37	catalysts.7,37	VERB
ajset-646	49	33	the	the	DET
ajset-646	49	34	pourbaix	pourbaix	PROPN
ajset-646	49	35	diagram	diagram	PROPN
ajset-646	49	36	shows	show	VERB
ajset-646	49	37	the	the	DET
ajset-646	49	38	thermodynamically	thermodynamically	ADV
ajset-646	49	39	stable	stable	ADJ
ajset-646	49	40	form	form	NOUN
ajset-646	49	41	of	of	ADP
ajset-646	49	42	a	a	DET
ajset-646	49	43	chemical	chemical	NOUN
ajset-646	49	44	species	specie	NOUN
ajset-646	49	45	as	as	ADP
ajset-646	49	46	a	a	DET
ajset-646	49	47	function	function	NOUN
ajset-646	49	48	of	of	ADP
ajset-646	49	49	applied	apply	VERB
ajset-646	49	50	potential	potential	NOUN
ajset-646	49	51	and	and	CCONJ
ajset-646	49	52	ph	ph	ADJ
ajset-646	49	53	,	,	PUNCT
ajset-646	49	54	spanning	span	VERB
ajset-646	49	55	all	all	DET
ajset-646	49	56	oxidation	oxidation	ADJ
ajset-646	49	57	states	state	NOUN
ajset-646	49	58	accessible	accessible	ADJ
ajset-646	49	59	by	by	ADP
ajset-646	49	60	redox	redox	ADJ
ajset-646	49	61	reactions	reaction	NOUN
ajset-646	49	62	and/or	and/or	CCONJ
ajset-646	49	63	acid	acid	ADJ
ajset-646	49	64	/	/	SYM
ajset-646	49	65	base	base	NOUN
ajset-646	49	66	reactions	reaction	NOUN
ajset-646	49	67	.	.	PUNCT
ajset-646	50	1	the	the	DET
ajset-646	50	2	horizontal	horizontal	ADJ
ajset-646	50	3	and	and	CCONJ
ajset-646	50	4	diagonal	diagonal	ADJ
ajset-646	50	5	lines	line	NOUN
ajset-646	50	6	plotted	plot	VERB
ajset-646	50	7	on	on	ADP
ajset-646	50	8	the	the	DET
ajset-646	50	9	diagram	diagram	NOUN
ajset-646	50	10	are	be	AUX
ajset-646	50	11	the	the	DET
ajset-646	50	12	half	half	ADJ
ajset-646	50	13	-	-	PUNCT
ajset-646	50	14	potentials	potential	NOUN
ajset-646	50	15	,	,	PUNCT
ajset-646	50	16	i.e.	i.e.	X
ajset-646	50	17	,	,	PUNCT
ajset-646	50	18	the	the	DET
ajset-646	50	19	reduction	reduction	NOUN
ajset-646	50	20	potentials	potential	VERB
ajset-646	50	21	for	for	ADP
ajset-646	50	22	all	all	DET
ajset-646	50	23	redox	redox	ADJ
ajset-646	50	24	couples	couple	NOUN
ajset-646	50	25	at	at	ADP
ajset-646	50	26	the	the	DET
ajset-646	50	27	condition	condition	NOUN
ajset-646	50	28	of	of	ADP
ajset-646	50	29	equal	equal	ADJ
ajset-646	50	30	concentration	concentration	NOUN
ajset-646	50	31	of	of	ADP
ajset-646	50	32	the	the	DET
ajset-646	50	33	reduced	reduce	VERB
ajset-646	50	34	and	and	CCONJ
ajset-646	50	35	oxidized	oxidize	VERB
ajset-646	50	36	forms	form	NOUN
ajset-646	50	37	of	of	ADP
ajset-646	50	38	the	the	DET
ajset-646	50	39	species	specie	NOUN
ajset-646	50	40	,	,	PUNCT
ajset-646	50	41	as	as	ADP
ajset-646	50	42	a	a	DET
ajset-646	50	43	function	function	NOUN
ajset-646	50	44	of	of	ADP
ajset-646	50	45	the	the	DET
ajset-646	50	46	solution	solution	NOUN
ajset-646	50	47	ph	ph	VERB
ajset-646	50	48	.	.	PUNCT
ajset-646	51	1	the	the	DET
ajset-646	51	2	vertical	vertical	ADJ
ajset-646	51	3	lines	line	NOUN
ajset-646	51	4	are	be	AUX
ajset-646	51	5	the	the	DET
ajset-646	51	6	pka	pka	PROPN
ajset-646	51	7	values	value	NOUN
ajset-646	51	8	of	of	ADP
ajset-646	51	9	protonated	protonate	VERB
ajset-646	51	10	forms	form	NOUN
ajset-646	51	11	of	of	ADP
ajset-646	51	12	the	the	DET
ajset-646	51	13	species	specie	NOUN
ajset-646	51	14	.	.	PUNCT
ajset-646	52	1	fig	fig	NOUN
ajset-646	52	2	.	.	PUNCT
ajset-646	53	1	2	2	NUM
ajset-646	53	2	:	:	PUNCT
ajset-646	53	3	schematic	schematic	ADJ
ajset-646	53	4	illustration	illustration	NOUN
ajset-646	53	5	of	of	ADP
ajset-646	53	6	coupled	couple	VERB
ajset-646	53	7	pourbaix	pourbaix	PROPN
ajset-646	53	8	diagram	diagram	PROPN
ajset-646	53	9	.	.	PUNCT
ajset-646	54	1	shaded	shaded	PROPN
ajset-646	54	2	region	region	NOUN
ajset-646	54	3	(	(	PUNCT
ajset-646	54	4	green	green	NOUN
ajset-646	54	5	)	)	PUNCT
ajset-646	54	6	is	be	AUX
ajset-646	54	7	the	the	DET
ajset-646	54	8	overlap	overlap	NOUN
ajset-646	54	9	between	between	ADP
ajset-646	54	10	the	the	DET
ajset-646	54	11	pcet	pcet	NUM
ajset-646	54	12	regions	region	NOUN
ajset-646	54	13	of	of	ADP
ajset-646	54	14	the	the	DET
ajset-646	54	15	nii	nii	PROPN
ajset-646	54	16	/	/	SYM
ajset-646	54	17	i	i	PROPN
ajset-646	54	18	and	and	CCONJ
ajset-646	54	19	niiii	niiii	PROPN
ajset-646	54	20	/	/	SYM
ajset-646	54	21	ii(h-	ii(h-	NOUN
ajset-646	54	22	)	)	PUNCT
ajset-646	54	23	redox	redox	ADJ
ajset-646	54	24	couples	couple	NOUN
ajset-646	54	25	that	that	PRON
ajset-646	54	26	must	must	AUX
ajset-646	54	27	align	align	VERB
ajset-646	54	28	at	at	ADP
ajset-646	54	29	the	the	DET
ajset-646	54	30	same	same	ADJ
ajset-646	54	31	ph	ph	ADJ
ajset-646	54	32	conditions	condition	NOUN
ajset-646	54	33	to	to	PART
ajset-646	54	34	promote	promote	VERB
ajset-646	54	35	optimal	optimal	ADJ
ajset-646	54	36	catalyst	catalyst	NOUN
ajset-646	54	37	performance	performance	NOUN
ajset-646	54	38	for	for	ADP
ajset-646	54	39	h2	h2	NOUN
ajset-646	54	40	oxidation	oxidation	NOUN
ajset-646	54	41	or	or	CCONJ
ajset-646	54	42	production	production	NOUN
ajset-646	54	43	.	.	PUNCT
ajset-646	55	1	the	the	DET
ajset-646	55	2	red	red	ADJ
ajset-646	55	3	and	and	CCONJ
ajset-646	55	4	blue	blue	ADJ
ajset-646	55	5	pourbaix	pourbaix	PROPN
ajset-646	55	6	diagrams	diagram	NOUN
ajset-646	55	7	are	be	AUX
ajset-646	55	8	coupled	couple	VERB
ajset-646	55	9	by	by	ADP
ajset-646	55	10	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	55	11	academic	academic	ADJ
ajset-646	55	12	journal	journal	NOUN
ajset-646	55	13	of	of	ADP
ajset-646	55	14	science	science	NOUN
ajset-646	55	15	,	,	PUNCT
ajset-646	55	16	engineering	engineering	NOUN
ajset-646	55	17	and	and	CCONJ
ajset-646	55	18	technology	technology	NOUN
ajset-646	55	19	vol.6	vol.6	PROPN
ajset-646	55	20	,	,	PUNCT
ajset-646	55	21	issue	issue	NOUN
ajset-646	55	22	5	5	NUM
ajset-646	55	23	;	;	PUNCT
ajset-646	55	24	september	september	PROPN
ajset-646	55	25	october	october	PROPN
ajset-646	55	26	2021	2021	NUM
ajset-646	55	27	;	;	PUNCT
ajset-646	55	28	1252	1252	NUM
ajset-646	55	29	columbia	columbia	PROPN
ajset-646	55	30	rd	rd	PROPN
ajset-646	55	31	nw	nw	PROPN
ajset-646	55	32	,	,	PUNCT
ajset-646	55	33	washington	washington	PROPN
ajset-646	55	34	dc	dc	PROPN
ajset-646	55	35	,	,	PUNCT
ajset-646	55	36	united	united	PROPN
ajset-646	55	37	states	states	PROPN
ajset-646	55	38	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	55	39	;	;	PUNCT
ajset-646	55	40	mail	mail	NOUN
ajset-646	55	41	:	:	PUNCT
ajset-646	55	42	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	56	1	4	4	NUM
ajset-646	56	2	|	|	ADV
ajset-646	56	3	a	a	DET
ajset-646	56	4	c	c	NOUN
ajset-646	56	5	a	a	PRON
ajset-646	56	6	d	d	X
ajset-646	56	7	e	e	NOUN
ajset-646	56	8	m	m	NOUN
ajset-646	56	9	i	i	NOUN
ajset-646	56	10	c	c	NOUN
ajset-646	56	11	j	j	NOUN
ajset-646	56	12	o	o	X
ajset-646	56	13	u	u	NOUN
ajset-646	56	14	r	r	NOUN
ajset-646	56	15	n	n	NOUN
ajset-646	56	16	a	a	DET
ajset-646	56	17	l	l	NOUN
ajset-646	57	1	o	o	X
ajset-646	57	2	f	f	X
ajset-646	57	3	s	s	X
ajset-646	57	4	c	c	NOUN
ajset-646	58	1	i	i	NOUN
ajset-646	58	2	e	e	PROPN
ajset-646	58	3	n	n	PROPN
ajset-646	58	4	c	c	NOUN
ajset-646	58	5	e	e	X
ajset-646	58	6	,	,	PUNCT
ajset-646	58	7	e	e	PROPN
ajset-646	58	8	n	n	PRON
ajset-646	58	9	g	g	NOUN
ajset-646	58	10	i	i	PRON
ajset-646	58	11	n	n	VERB
ajset-646	58	12	e	e	NOUN
ajset-646	58	13	e	e	NOUN
ajset-646	58	14	r	r	VERB
ajset-646	58	15	i	i	PRON
ajset-646	58	16	n	n	CCONJ
ajset-646	58	17	g	g	PROPN
ajset-646	58	18	a	a	DET
ajset-646	58	19	n	n	NOUN
ajset-646	58	20	d	d	NOUN
ajset-646	58	21	t	t	NOUN
ajset-646	58	22	e	e	X
ajset-646	58	23	c	c	NOUN
ajset-646	58	24	h	h	NOUN
ajset-646	58	25	n	n	ADV
ajset-646	58	26	o	o	NOUN
ajset-646	58	27	l	l	NOUN
ajset-646	59	1	o	o	X
ajset-646	59	2	g	g	NOUN
ajset-646	59	3	y	y	PROPN
ajset-646	59	4	|	|	ADV
ajset-646	59	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	59	6	oxidative	oxidative	ADJ
ajset-646	59	7	addition	addition	NOUN
ajset-646	59	8	or	or	CCONJ
ajset-646	59	9	reductive	reductive	ADJ
ajset-646	59	10	elimination	elimination	NOUN
ajset-646	59	11	reactions	reaction	NOUN
ajset-646	59	12	between	between	ADP
ajset-646	59	13	intermediates	intermediate	NOUN
ajset-646	59	14	connected	connect	VERB
ajset-646	59	15	by	by	ADP
ajset-646	59	16	purple	purple	ADJ
ajset-646	59	17	double	double	ADJ
ajset-646	59	18	-	-	PUNCT
ajset-646	59	19	headed	head	VERB
ajset-646	59	20	arrows	arrow	NOUN
ajset-646	59	21	and	and	CCONJ
ajset-646	59	22	heterolytic	heterolytic	ADJ
ajset-646	59	23	cleavage	cleavage	NOUN
ajset-646	59	24	or	or	CCONJ
ajset-646	59	25	association	association	NOUN
ajset-646	59	26	reactions	reaction	NOUN
ajset-646	59	27	between	between	ADP
ajset-646	59	28	intermediates	intermediate	NOUN
ajset-646	59	29	connected	connect	VERB
ajset-646	59	30	by	by	ADP
ajset-646	59	31	green	green	ADJ
ajset-646	59	32	double	double	ADJ
ajset-646	59	33	-	-	PUNCT
ajset-646	59	34	headed	head	VERB
ajset-646	59	35	arrows	arrow	NOUN
ajset-646	59	36	.	.	PUNCT
ajset-646	60	1	for	for	ADP
ajset-646	60	2	mechanisms	mechanism	NOUN
ajset-646	60	3	that	that	PRON
ajset-646	60	4	involve	involve	VERB
ajset-646	60	5	thermal	thermal	ADJ
ajset-646	60	6	reactions	reaction	NOUN
ajset-646	60	7	to	to	PART
ajset-646	60	8	produce	produce	VERB
ajset-646	60	9	intermediates	intermediate	NOUN
ajset-646	60	10	not	not	PART
ajset-646	60	11	reached	reach	VERB
ajset-646	60	12	by	by	ADP
ajset-646	60	13	redox	redox	ADJ
ajset-646	60	14	processes	process	NOUN
ajset-646	60	15	,	,	PUNCT
ajset-646	60	16	pourbaix	pourbaix	NOUN
ajset-646	60	17	diagrams	diagram	NOUN
ajset-646	60	18	can	can	AUX
ajset-646	60	19	be	be	AUX
ajset-646	60	20	combined	combine	VERB
ajset-646	60	21	in	in	ADP
ajset-646	60	22	order	order	NOUN
ajset-646	60	23	to	to	PART
ajset-646	60	24	provide	provide	VERB
ajset-646	60	25	an	an	DET
ajset-646	60	26	effective	effective	ADJ
ajset-646	60	27	description	description	NOUN
ajset-646	60	28	of	of	ADP
ajset-646	60	29	the	the	DET
ajset-646	60	30	process	process	NOUN
ajset-646	60	31	,	,	PUNCT
ajset-646	60	32	as	as	ADP
ajset-646	60	33	in	in	ADP
ajset-646	60	34	fig	fig	NOUN
ajset-646	60	35	.	.	PUNCT
ajset-646	61	1	2	2	X
ajset-646	61	2	.	.	X
ajset-646	61	3	an	an	DET
ajset-646	61	4	example	example	NOUN
ajset-646	61	5	of	of	ADP
ajset-646	61	6	such	such	DET
ajset-646	61	7	a	a	DET
ajset-646	61	8	thermal	thermal	ADJ
ajset-646	61	9	reaction	reaction	NOUN
ajset-646	61	10	is	be	AUX
ajset-646	61	11	the	the	DET
ajset-646	61	12	rapid	rapid	ADJ
ajset-646	61	13	intramolecular	intramolecular	ADJ
ajset-646	61	14	proton	proton	NOUN
ajset-646	61	15	transfer	transfer	NOUN
ajset-646	61	16	between	between	ADP
ajset-646	61	17	a	a	DET
ajset-646	61	18	reduced	reduce	VERB
ajset-646	61	19	metal	metal	NOUN
ajset-646	61	20	center	center	NOUN
ajset-646	61	21	and	and	CCONJ
ajset-646	61	22	a	a	DET
ajset-646	61	23	pendent	pendent	ADJ
ajset-646	61	24	base	base	NOUN
ajset-646	61	25	(	(	PUNCT
ajset-646	61	26	i.e.	i.e.	X
ajset-646	61	27	,	,	PUNCT
ajset-646	61	28	reductive	reductive	ADJ
ajset-646	61	29	elimination	elimination	NOUN
ajset-646	61	30	or	or	CCONJ
ajset-646	61	31	oxidative	oxidative	ADJ
ajset-646	61	32	addition	addition	NOUN
ajset-646	61	33	)	)	PUNCT
ajset-646	61	34	.	.	PUNCT
ajset-646	62	1	coupled	couple	VERB
ajset-646	62	2	pourbaix	pourbaix	PROPN
ajset-646	62	3	diagrams	diagram	NOUN
ajset-646	62	4	can	can	AUX
ajset-646	62	5	provide	provide	VERB
ajset-646	62	6	crucial	crucial	ADJ
ajset-646	62	7	information	information	NOUN
ajset-646	62	8	about	about	ADP
ajset-646	62	9	the	the	DET
ajset-646	62	10	performance	performance	NOUN
ajset-646	62	11	of	of	ADP
ajset-646	62	12	a	a	DET
ajset-646	62	13	given	give	VERB
ajset-646	62	14	catalyst	catalyst	NOUN
ajset-646	62	15	.	.	PUNCT
ajset-646	63	1	for	for	ADP
ajset-646	63	2	example	example	NOUN
ajset-646	63	3	,	,	PUNCT
ajset-646	63	4	if	if	SCONJ
ajset-646	63	5	the	the	DET
ajset-646	63	6	mechanism	mechanism	NOUN
ajset-646	63	7	operates	operate	VERB
ajset-646	63	8	by	by	ADP
ajset-646	63	9	way	way	NOUN
ajset-646	63	10	of	of	ADP
ajset-646	63	11	an	an	DET
ajset-646	63	12	oxidative	oxidative	ADJ
ajset-646	63	13	addition	addition	NOUN
ajset-646	63	14	reaction	reaction	NOUN
ajset-646	63	15	that	that	PRON
ajset-646	63	16	transforms	transform	VERB
ajset-646	63	17	a	a	DET
ajset-646	63	18	nii	nii	NOUN
ajset-646	63	19	to	to	ADP
ajset-646	63	20	a	a	DET
ajset-646	63	21	niiii(h-	niiii(h-	NOUN
ajset-646	63	22	)	)	PUNCT
ajset-646	63	23	species	specie	NOUN
ajset-646	63	24	that	that	PRON
ajset-646	63	25	is	be	AUX
ajset-646	63	26	the	the	DET
ajset-646	63	27	precursor	precursor	NOUN
ajset-646	63	28	to	to	ADP
ajset-646	63	29	further	further	ADJ
ajset-646	63	30	redox	redox	ADJ
ajset-646	63	31	chemistry	chemistry	NOUN
ajset-646	63	32	,	,	PUNCT
ajset-646	63	33	these	these	DET
ajset-646	63	34	two	two	NUM
ajset-646	63	35	species	specie	NOUN
ajset-646	63	36	must	must	AUX
ajset-646	63	37	be	be	AUX
ajset-646	63	38	able	able	ADJ
ajset-646	63	39	to	to	PART
ajset-646	63	40	coexist	coexist	VERB
ajset-646	63	41	at	at	ADP
ajset-646	63	42	similar	similar	ADJ
ajset-646	63	43	ph	ph	NOUN
ajset-646	63	44	and	and	CCONJ
ajset-646	63	45	potential	potential	NOUN
ajset-646	63	46	.	.	PUNCT
ajset-646	64	1	furthermore	furthermore	ADV
ajset-646	64	2	,	,	PUNCT
ajset-646	64	3	such	such	DET
ajset-646	64	4	a	a	DET
ajset-646	64	5	reaction	reaction	NOUN
ajset-646	64	6	would	would	AUX
ajset-646	64	7	ideally	ideally	ADV
ajset-646	64	8	have	have	VERB
ajset-646	64	9	∆g	∆g	PROPN
ajset-646	64	10	°	°	NOUN
ajset-646	64	11	=	=	SYM
ajset-646	65	1	0	0	X
ajset-646	65	2	.	.	PUNCT
ajset-646	66	1	a	a	DET
ajset-646	66	2	more	more	ADV
ajset-646	66	3	detailed	detailed	ADJ
ajset-646	66	4	explanation	explanation	NOUN
ajset-646	66	5	of	of	ADP
ajset-646	66	6	coupled	couple	VERB
ajset-646	66	7	pourbaix	pourbaix	NOUN
ajset-646	66	8	diagrams	diagram	NOUN
ajset-646	66	9	has	have	AUX
ajset-646	66	10	been	be	AUX
ajset-646	66	11	given	give	VERB
ajset-646	66	12	in	in	ADP
ajset-646	66	13	our	our	PRON
ajset-646	66	14	previous	previous	ADJ
ajset-646	66	15	paper.42	paper.42	NOUN
ajset-646	66	16	more	more	ADV
ajset-646	66	17	fundamental	fundamental	ADJ
ajset-646	66	18	details	detail	NOUN
ajset-646	66	19	of	of	ADP
ajset-646	66	20	the	the	DET
ajset-646	66	21	method	method	NOUN
ajset-646	66	22	are	be	AUX
ajset-646	66	23	described	describe	VERB
ajset-646	66	24	in	in	ADP
ajset-646	66	25	the	the	DET
ajset-646	66	26	supporting	support	VERB
ajset-646	66	27	information	information	NOUN
ajset-646	66	28	.	.	PUNCT
ajset-646	67	1	2	2	X
ajset-646	67	2	.	.	X
ajset-646	67	3	p	p	PROPN
ajset-646	67	4	ka	ka	PROPN
ajset-646	67	5	calculation	calculation	NOUN
ajset-646	67	6	.	.	PUNCT
ajset-646	68	1	to	to	PART
ajset-646	68	2	be	be	AUX
ajset-646	68	3	able	able	ADJ
ajset-646	68	4	to	to	PART
ajset-646	68	5	compare	compare	VERB
ajset-646	68	6	to	to	ADP
ajset-646	68	7	experiments	experiment	NOUN
ajset-646	68	8	,	,	PUNCT
ajset-646	68	9	the	the	DET
ajset-646	68	10	pka	pka	PROPN
ajset-646	68	11	is	be	AUX
ajset-646	68	12	calculated	calculate	VERB
ajset-646	68	13	by	by	ADP
ajset-646	68	14	constructing	construct	VERB
ajset-646	68	15	a	a	DET
ajset-646	68	16	thermodynamic	thermodynamic	ADJ
ajset-646	68	17	cycle	cycle	NOUN
ajset-646	68	18	as	as	SCONJ
ajset-646	68	19	shown	show	VERB
ajset-646	68	20	in	in	ADP
ajset-646	68	21	scheme	scheme	NOUN
ajset-646	68	22	1	1	NUM
ajset-646	68	23	and	and	CCONJ
ajset-646	68	24	similar	similar	ADJ
ajset-646	68	25	in	in	ADP
ajset-646	68	26	approach	approach	NOUN
ajset-646	68	27	to	to	PART
ajset-646	68	28	ref	ref	VERB
ajset-646	68	29	37.39,43	37.39,43	NUM
ajset-646	68	30	gg	gg	PROPN
ajset-646	68	31	ha	ha	INTJ
ajset-646	68	32	a-(g	a-(g	NOUN
ajset-646	68	33	)	)	PUNCT
ajset-646	69	1	+	+	CCONJ
ajset-646	69	2	h+(g	h+(g	X
ajset-646	69	3	)	)	PUNCT
ajset-646	69	4	g	g	NOUN
ajset-646	69	5	s(ha	s(ha	NOUN
ajset-646	69	6	)	)	PUNCT
ajset-646	70	1	gs(h	gs(h	X
ajset-646	70	2	)	)	PUNCT
ajset-646	70	3	ha(sol	ha(sol	PROPN
ajset-646	70	4	)	)	PUNCT
ajset-646	70	5	a-(sol	a-(sol	ADV
ajset-646	70	6	)	)	PUNCT
ajset-646	71	1	+	+	CCONJ
ajset-646	71	2	h+(sol	h+(sol	NOUN
ajset-646	71	3	)	)	PUNCT
ajset-646	71	4	scheme	scheme	NOUN
ajset-646	71	5	1	1	NUM
ajset-646	71	6	general	general	ADJ
ajset-646	71	7	thermodynamic	thermodynamic	ADJ
ajset-646	71	8	cycle	cycle	NOUN
ajset-646	71	9	used	use	VERB
ajset-646	71	10	to	to	PART
ajset-646	71	11	calculate	calculate	VERB
ajset-646	71	12	pka	pka	PROPN
ajset-646	71	13	in	in	ADP
ajset-646	71	14	acetonitrile	acetonitrile	ADJ
ajset-646	71	15	solvent	solvent	NOUN
ajset-646	71	16	.	.	PUNCT
ajset-646	72	1	∆gg	∆gg	PROPN
ajset-646	72	2	is	be	AUX
ajset-646	72	3	the	the	DET
ajset-646	72	4	free	free	ADJ
ajset-646	72	5	-	-	PUNCT
ajset-646	72	6	energy	energy	NOUN
ajset-646	72	7	change	change	NOUN
ajset-646	72	8	of	of	ADP
ajset-646	72	9	the	the	DET
ajset-646	72	10	acid	acid	NOUN
ajset-646	72	11	dissociation	dissociation	NOUN
ajset-646	72	12	reaction	reaction	NOUN
ajset-646	72	13	in	in	ADP
ajset-646	72	14	the	the	DET
ajset-646	72	15	gas	gas	NOUN
ajset-646	72	16	phase	phase	NOUN
ajset-646	72	17	where	where	SCONJ
ajset-646	72	18	∆gg	∆gg	NOUN
ajset-646	72	19	=	=	PRON
ajset-646	72	20	gg(a	gg(a	NOUN
ajset-646	72	21	-	-	PUNCT
ajset-646	72	22	)	)	PUNCT
ajset-646	72	23	+	+	CCONJ
ajset-646	72	24	gg(h	gg(h	NUM
ajset-646	72	25	+	+	NOUN
ajset-646	72	26	)	)	PUNCT
ajset-646	72	27	–	–	PUNCT
ajset-646	72	28	gg(ha	gg(ha	NOUN
ajset-646	72	29	)	)	PUNCT
ajset-646	72	30	calculated	calculate	VERB
ajset-646	72	31	with	with	ADP
ajset-646	72	32	dft	dft	PROPN
ajset-646	72	33	at	at	ADP
ajset-646	72	34	1	1	NUM
ajset-646	72	35	atm	atm	NOUN
ajset-646	72	36	standard	standard	PROPN
ajset-646	72	37	state.32,44	state.32,44	NOUN
ajset-646	72	38	g	g	PROPN
ajset-646	72	39	solo	solo	NOUN
ajset-646	72	40	δgo	δgo	NOUN
ajset-646	72	41	*	*	PUNCT
ajset-646	72	42	pka	pka	PROPN
ajset-646	72	43	2.303rt	2.303rt	PROPN
ajset-646	72	44	(	(	PUNCT
ajset-646	72	45	1	1	X
ajset-646	72	46	)	)	PUNCT
ajset-646	72	47	dgs	dgs	NOUN
ajset-646	72	48	o	o	NOUN
ajset-646	72	49	ol	ol	PROPN
ajset-646	72	50	=	=	PROPN
ajset-646	72	51	dgg	dgg	PROPN
ajset-646	72	52	+	+	PROPN
ajset-646	72	53	ddgs	ddgs	NOUN
ajset-646	72	54	o	o	X
ajset-646	72	55	(	(	PUNCT
ajset-646	72	56	2	2	NUM
ajset-646	72	57	)	)	PUNCT
ajset-646	72	58	in	in	ADP
ajset-646	72	59	this	this	DET
ajset-646	72	60	construct	construct	NOUN
ajset-646	72	61	,	,	PUNCT
ajset-646	72	62	equations	equation	NOUN
ajset-646	72	63	(	(	PUNCT
ajset-646	72	64	1	1	NUM
ajset-646	72	65	)	)	PUNCT
ajset-646	72	66	and	and	CCONJ
ajset-646	72	67	(	(	PUNCT
ajset-646	72	68	2	2	X
ajset-646	72	69	)	)	PUNCT
ajset-646	72	70	are	be	AUX
ajset-646	72	71	used	use	VERB
ajset-646	72	72	to	to	PART
ajset-646	72	73	solve	solve	VERB
ajset-646	72	74	for	for	ADP
ajset-646	72	75	the	the	DET
ajset-646	72	76	pka	pka	PROPN
ajset-646	73	1	.	.	PROPN
ajset-646	73	2	∆go	∆go	VERB
ajset-646	73	3	sol	sol	PROPN
ajset-646	73	4	is	be	AUX
ajset-646	73	5	the	the	DET
ajset-646	73	6	free	free	ADJ
ajset-646	73	7	-	-	PUNCT
ajset-646	73	8	energy	energy	NOUN
ajset-646	73	9	change	change	NOUN
ajset-646	73	10	of	of	ADP
ajset-646	73	11	the	the	DET
ajset-646	73	12	acid	acid	NOUN
ajset-646	73	13	dissociation	dissociation	NOUN
ajset-646	73	14	reaction	reaction	NOUN
ajset-646	73	15	in	in	ADP
ajset-646	73	16	solution	solution	NOUN
ajset-646	73	17	where	where	SCONJ
ajset-646	73	18	∆∆gsol	∆∆gsol	VERB
ajset-646	73	19	=	=	SYM
ajset-646	73	20	∆gsol(a	∆gsol(a	X
ajset-646	73	21	-	-	PUNCT
ajset-646	73	22	)	)	PUNCT
ajset-646	73	23	+	+	CCONJ
ajset-646	73	24	∆gsol(h	∆gsol(h	PROPN
ajset-646	73	25	+	+	ADJ
ajset-646	73	26	)	)	PUNCT
ajset-646	73	27	–	–	PUNCT
ajset-646	73	28	∆gsol(ha).45	∆gsol(ha).45	VERB
ajset-646	73	29	the	the	DET
ajset-646	73	30	solvation	solvation	NOUN
ajset-646	73	31	free	free	ADJ
ajset-646	73	32	energy	energy	NOUN
ajset-646	73	33	was	be	AUX
ajset-646	73	34	approximated	approximate	VERB
ajset-646	73	35	with	with	ADP
ajset-646	73	36	a	a	DET
ajset-646	73	37	polarizable	polarizable	ADJ
ajset-646	73	38	continuum	continuum	ADJ
ajset-646	73	39	model	model	NOUN
ajset-646	73	40	(	(	PUNCT
ajset-646	73	41	pcm	pcm	ADJ
ajset-646	73	42	)	)	PUNCT
ajset-646	73	43	solvation	solvation	NOUN
ajset-646	73	44	model.30,39	model.30,39	NOUN
ajset-646	73	45	the	the	DET
ajset-646	73	46	difference	difference	NOUN
ajset-646	73	47	between	between	ADP
ajset-646	73	48	standard	standard	ADJ
ajset-646	73	49	states	state	NOUN
ajset-646	73	50	of	of	ADP
ajset-646	73	51	the	the	DET
ajset-646	73	52	gas	gas	NOUN
ajset-646	73	53	phase	phase	NOUN
ajset-646	73	54	and	and	CCONJ
ajset-646	73	55	solution	solution	NOUN
ajset-646	73	56	phase	phase	NOUN
ajset-646	73	57	is	be	AUX
ajset-646	73	58	reconciled	reconcile	VERB
ajset-646	73	59	by	by	ADP
ajset-646	73	60	the	the	DET
ajset-646	73	61	∆go→	∆go→	PROPN
ajset-646	73	62	*	*	PROPN
ajset-646	73	63	term	term	NOUN
ajset-646	73	64	,	,	PUNCT
ajset-646	73	65	taken	take	VERB
ajset-646	73	66	to	to	PART
ajset-646	73	67	be	be	AUX
ajset-646	73	68	1.89	1.89	NUM
ajset-646	73	69	kcal	kcal	NOUN
ajset-646	73	70	/	/	SYM
ajset-646	73	71	mol.39	mol.39	NOUN
ajset-646	73	72	the	the	DET
ajset-646	73	73	solvation	solvation	NOUN
ajset-646	73	74	free	free	ADJ
ajset-646	73	75	-	-	PUNCT
ajset-646	73	76	energy	energy	NOUN
ajset-646	73	77	of	of	ADP
ajset-646	73	78	the	the	DET
ajset-646	73	79	proton	proton	NOUN
ajset-646	73	80	in	in	ADP
ajset-646	73	81	acetonitrile	acetonitrile	ADJ
ajset-646	73	82	solvent	solvent	NOUN
ajset-646	73	83	is	be	AUX
ajset-646	73	84	taken	take	VERB
ajset-646	73	85	from	from	ADP
ajset-646	73	86	the	the	DET
ajset-646	73	87	literature	literature	NOUN
ajset-646	73	88	to	to	PART
ajset-646	73	89	be	be	AUX
ajset-646	73	90	-260.2	-260.2	PROPN
ajset-646	73	91	kcal	kcal	PROPN
ajset-646	73	92	/	/	SYM
ajset-646	73	93	mol.46	mol.46	PROPN
ajset-646	73	94	the	the	DET
ajset-646	73	95	gas	gas	NOUN
ajset-646	73	96	-	-	PUNCT
ajset-646	73	97	phase	phase	NOUN
ajset-646	73	98	free	free	ADJ
ajset-646	73	99	energy	energy	NOUN
ajset-646	73	100	of	of	ADP
ajset-646	73	101	the	the	DET
ajset-646	73	102	proton	proton	NOUN
ajset-646	73	103	is	be	AUX
ajset-646	73	104	also	also	ADV
ajset-646	73	105	taken	take	VERB
ajset-646	73	106	from	from	ADP
ajset-646	73	107	the	the	DET
ajset-646	73	108	literature	literature	NOUN
ajset-646	73	109	as	as	ADP
ajset-646	73	110	a	a	DET
ajset-646	73	111	value	value	NOUN
ajset-646	73	112	of	of	ADP
ajset-646	73	113	-6.28	-6.28	DET
ajset-646	73	114	kcal	kcal	NOUN
ajset-646	73	115	/	/	SYM
ajset-646	73	116	mol	mol	PROPN
ajset-646	73	117	,	,	PUNCT
ajset-646	73	118	calculated	calculate	VERB
ajset-646	73	119	from	from	ADP
ajset-646	73	120	the	the	DET
ajset-646	73	121	sakur	sakur	ADJ
ajset-646	73	122	-	-	PUNCT
ajset-646	73	123	tetrode	tetrode	NOUN
ajset-646	73	124	equation.46	equation.46	NOUN
ajset-646	73	125	3	3	NUM
ajset-646	73	126	.	.	NOUN
ajset-646	73	127	reduction	reduction	NOUN
ajset-646	73	128	potential	potential	ADJ
ajset-646	73	129	calculation	calculation	NOUN
ajset-646	73	130	.	.	PUNCT
ajset-646	74	1	to	to	PART
ajset-646	74	2	calculate	calculate	VERB
ajset-646	74	3	the	the	DET
ajset-646	74	4	standard	standard	ADJ
ajset-646	74	5	reduction	reduction	NOUN
ajset-646	74	6	potential	potential	NOUN
ajset-646	74	7	,	,	PUNCT
ajset-646	74	8	a	a	DET
ajset-646	74	9	second	second	ADJ
ajset-646	74	10	thermodynamic	thermodynamic	ADJ
ajset-646	74	11	cycle	cycle	NOUN
ajset-646	74	12	is	be	AUX
ajset-646	74	13	constructed	construct	VERB
ajset-646	74	14	as	as	SCONJ
ajset-646	74	15	shown	show	VERB
ajset-646	74	16	in	in	ADP
ajset-646	74	17	scheme	scheme	NOUN
ajset-646	74	18	2	2	NUM
ajset-646	74	19	.	.	PUNCT
ajset-646	75	1	in	in	ADP
ajset-646	75	2	this	this	DET
ajset-646	75	3	construct	construct	NOUN
ajset-646	75	4	,	,	PUNCT
ajset-646	75	5	the	the	DET
ajset-646	75	6	nernst	nernst	PROPN
ajset-646	75	7	equation	equation	NOUN
ajset-646	75	8	represented	represent	VERB
ajset-646	75	9	by	by	ADP
ajset-646	75	10	equations	equation	NOUN
ajset-646	75	11	(	(	PUNCT
ajset-646	75	12	3	3	NUM
ajset-646	75	13	)	)	PUNCT
ajset-646	75	14	and	and	CCONJ
ajset-646	75	15	(	(	PUNCT
ajset-646	75	16	4	4	X
ajset-646	75	17	)	)	PUNCT
ajset-646	75	18	is	be	AUX
ajset-646	75	19	used	use	VERB
ajset-646	75	20	to	to	PART
ajset-646	75	21	solve	solve	VERB
ajset-646	75	22	for	for	ADP
ajset-646	75	23	the	the	DET
ajset-646	75	24	reduction	reduction	NOUN
ajset-646	75	25	potential.46,47	potential.46,47	NOUN
ajset-646	75	26	gg	gg	PROPN
ajset-646	75	27	(	(	PUNCT
ajset-646	75	28	g	g	PROPN
ajset-646	75	29	)	)	PUNCT
ajset-646	75	30	)	)	PUNCT
ajset-646	76	1	(	(	PUNCT
ajset-646	76	2	a	a	DET
ajset-646	76	3	s	s	NOUN
ajset-646	76	4	g	g	NOUN
ajset-646	76	5	o	o	NOUN
ajset-646	76	6	sol	sol	NOUN
ajset-646	76	7	g	g	PROPN
ajset-646	76	8	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	76	9	academic	academic	ADJ
ajset-646	76	10	journal	journal	NOUN
ajset-646	76	11	of	of	ADP
ajset-646	76	12	science	science	NOUN
ajset-646	76	13	,	,	PUNCT
ajset-646	76	14	engineering	engineering	NOUN
ajset-646	76	15	and	and	CCONJ
ajset-646	76	16	technology	technology	NOUN
ajset-646	76	17	vol.6	vol.6	PROPN
ajset-646	76	18	,	,	PUNCT
ajset-646	76	19	issue	issue	NOUN
ajset-646	76	20	5	5	NUM
ajset-646	76	21	;	;	PUNCT
ajset-646	76	22	september	september	PROPN
ajset-646	76	23	october	october	PROPN
ajset-646	76	24	2021	2021	NUM
ajset-646	76	25	;	;	PUNCT
ajset-646	76	26	1252	1252	NUM
ajset-646	76	27	columbia	columbia	PROPN
ajset-646	76	28	rd	rd	PROPN
ajset-646	76	29	nw	nw	PROPN
ajset-646	76	30	,	,	PUNCT
ajset-646	76	31	washington	washington	PROPN
ajset-646	76	32	dc	dc	PROPN
ajset-646	76	33	,	,	PUNCT
ajset-646	76	34	united	united	PROPN
ajset-646	76	35	states	states	PROPN
ajset-646	76	36	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	76	37	;	;	PUNCT
ajset-646	76	38	mail	mail	NOUN
ajset-646	76	39	:	:	PUNCT
ajset-646	76	40	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	77	1	5	5	NUM
ajset-646	78	1	|	|	ADV
ajset-646	78	2	a	a	DET
ajset-646	78	3	c	c	NOUN
ajset-646	78	4	a	a	PRON
ajset-646	78	5	d	d	X
ajset-646	78	6	e	e	NOUN
ajset-646	78	7	m	m	NOUN
ajset-646	78	8	i	i	NOUN
ajset-646	78	9	c	c	NOUN
ajset-646	78	10	j	j	NOUN
ajset-646	78	11	o	o	X
ajset-646	78	12	u	u	NOUN
ajset-646	78	13	r	r	NOUN
ajset-646	78	14	n	n	NOUN
ajset-646	78	15	a	a	DET
ajset-646	78	16	l	l	NOUN
ajset-646	79	1	o	o	X
ajset-646	79	2	f	f	X
ajset-646	79	3	s	s	X
ajset-646	79	4	c	c	NOUN
ajset-646	80	1	i	i	NOUN
ajset-646	80	2	e	e	PROPN
ajset-646	80	3	n	n	PROPN
ajset-646	80	4	c	c	NOUN
ajset-646	80	5	e	e	X
ajset-646	80	6	,	,	PUNCT
ajset-646	80	7	e	e	PROPN
ajset-646	80	8	n	n	PRON
ajset-646	80	9	g	g	NOUN
ajset-646	80	10	i	i	PRON
ajset-646	80	11	n	n	VERB
ajset-646	80	12	e	e	NOUN
ajset-646	80	13	e	e	NOUN
ajset-646	80	14	r	r	VERB
ajset-646	80	15	i	i	PRON
ajset-646	80	16	n	n	CCONJ
ajset-646	80	17	g	g	PROPN
ajset-646	80	18	a	a	DET
ajset-646	80	19	n	n	NOUN
ajset-646	80	20	d	d	NOUN
ajset-646	80	21	t	t	NOUN
ajset-646	80	22	e	e	X
ajset-646	80	23	c	c	NOUN
ajset-646	80	24	h	h	NOUN
ajset-646	80	25	n	n	ADV
ajset-646	80	26	o	o	NOUN
ajset-646	80	27	l	l	NOUN
ajset-646	81	1	o	o	X
ajset-646	81	2	g	g	NOUN
ajset-646	81	3	y	y	PROPN
ajset-646	81	4	|	|	ADV
ajset-646	81	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	81	6	+	+	CCONJ
ajset-646	81	7	ox(g	ox(g	NOUN
ajset-646	81	8	)	)	PUNCT
ajset-646	82	1	+	+	CCONJ
ajset-646	82	2	mh	mh	PROPN
ajset-646	82	3	(	(	PUNCT
ajset-646	82	4	g	g	NOUN
ajset-646	82	5	)	)	PUNCT
ajset-646	82	6	+	+	NUM
ajset-646	82	7	ne	ne	X
ajset-646	82	8	hred(g	hred(g	PROPN
ajset-646	82	9	)	)	PUNCT
ajset-646	82	10	gs(ox	gs(ox	NOUN
ajset-646	82	11	)	)	PUNCT
ajset-646	82	12	gs(h	gs(h	NOUN
ajset-646	82	13	)	)	PUNCT
ajset-646	83	1	g	g	NOUN
ajset-646	83	2	0	0	NUM
ajset-646	83	3	gs	gs	PROPN
ajset-646	83	4	(	(	PUNCT
ajset-646	83	5	hr	hr	NOUN
ajset-646	83	6	ed	ed	NOUN
ajset-646	83	7	)	)	PUNCT
ajset-646	83	8	ox(sol	ox(sol	ADV
ajset-646	83	9	)	)	PUNCT
ajset-646	84	1	+	+	CCONJ
ajset-646	84	2	mh+(sol	mh+(sol	X
ajset-646	84	3	)	)	PUNCT
ajset-646	85	1	+	+	CCONJ
ajset-646	85	2	ne	ne	X
ajset-646	85	3	(	(	PUNCT
ajset-646	85	4	sol	sol	NOUN
ajset-646	85	5	)	)	PUNCT
ajset-646	85	6	hred(sol	hred(sol	NOUN
ajset-646	85	7	)	)	PUNCT
ajset-646	85	8	scheme	scheme	NOUN
ajset-646	85	9	2	2	NUM
ajset-646	85	10	general	general	ADJ
ajset-646	85	11	thermodynamic	thermodynamic	ADJ
ajset-646	85	12	cycle	cycle	NOUN
ajset-646	85	13	used	use	VERB
ajset-646	85	14	to	to	PART
ajset-646	85	15	calculate	calculate	VERB
ajset-646	85	16	the	the	DET
ajset-646	85	17	reduction	reduction	NOUN
ajset-646	85	18	potential	potential	NOUN
ajset-646	85	19	in	in	ADP
ajset-646	85	20	acetonitrile	acetonitrile	ADJ
ajset-646	85	21	solvent	solvent	NOUN
ajset-646	85	22	.	.	PUNCT
ajset-646	86	1	(	(	PUNCT
ajset-646	86	2	dgoox|red	dgoox|re	VERB
ajset-646	86	3	dgrohe	dgrohe	NOUN
ajset-646	86	4	)	)	PUNCT
ajset-646	86	5	e	e	NOUN
ajset-646	86	6	oox|red	oox|re	VERB
ajset-646	86	7	=	=	SYM
ajset-646	86	8	(	(	PUNCT
ajset-646	86	9	3	3	X
ajset-646	86	10	)	)	PUNCT
ajset-646	86	11	nf	nf	NOUN
ajset-646	86	12	e	e	NOUN
ajset-646	86	13	=	=	VERB
ajset-646	86	14	eoox|red	eoox|re	VERB
ajset-646	86	15	rt	rt	PROPN
ajset-646	86	16	lnæça	lnæça	VERB
ajset-646	86	17	red	red	ADJ
ajset-646	86	18	÷öm×0.0591×ph	÷öm×0.0591×ph	NOUN
ajset-646	86	19	(	(	PUNCT
ajset-646	86	20	4	4	NUM
ajset-646	86	21	)	)	PUNCT
ajset-646	86	22	nf	nf	NOUN
ajset-646	86	23	èaox	èaox	ADJ
ajset-646	86	24	ø	ø	PROPN
ajset-646	86	25	n	n	CCONJ
ajset-646	86	26	the	the	DET
ajset-646	86	27	absolute	absolute	ADJ
ajset-646	86	28	free	free	ADJ
ajset-646	86	29	energy	energy	NOUN
ajset-646	86	30	of	of	ADP
ajset-646	86	31	the	the	DET
ajset-646	86	32	normal	normal	ADJ
ajset-646	86	33	hydrogen	hydrogen	NOUN
ajset-646	86	34	electrode	electrode	NOUN
ajset-646	86	35	dgr	dgr	PROPN
ajset-646	86	36	o	o	PROPN
ajset-646	86	37	hein	hein	PROPN
ajset-646	86	38	acetonitrile	acetonitrile	ADJ
ajset-646	86	39	solution	solution	NOUN
ajset-646	86	40	was	be	AUX
ajset-646	86	41	calculated	calculate	VERB
ajset-646	86	42	to	to	PART
ajset-646	86	43	be	be	AUX
ajset-646	86	44	4.63v	4.63v	NUM
ajset-646	86	45	and	and	CCONJ
ajset-646	86	46	is	be	AUX
ajset-646	86	47	very	very	ADV
ajset-646	86	48	close	close	ADJ
ajset-646	86	49	to	to	ADP
ajset-646	86	50	the	the	DET
ajset-646	86	51	value	value	NOUN
ajset-646	86	52	of	of	ADP
ajset-646	86	53	4.48v	4.48v	NUM
ajset-646	86	54	reported	report	VERB
ajset-646	86	55	in	in	ADP
ajset-646	86	56	ref	ref	NOUN
ajset-646	86	57	37	37	NUM
ajset-646	86	58	.	.	PUNCT
ajset-646	87	1	eo	eo	NOUN
ajset-646	88	1	o	o	PROPN
ajset-646	88	2	x|red	x|red	PROPN
ajset-646	88	3	is	be	AUX
ajset-646	88	4	at	at	ADP
ajset-646	88	5	unit	unit	NOUN
ajset-646	88	6	(	(	PUNCT
ajset-646	88	7	i.e.	i.e.	X
ajset-646	88	8	,	,	PUNCT
ajset-646	88	9	1	1	NUM
ajset-646	88	10	molar	molar	ADJ
ajset-646	88	11	)	)	PUNCT
ajset-646	88	12	activity	activity	NOUN
ajset-646	88	13	of	of	ADP
ajset-646	88	14	oxidant	oxidant	NOUN
ajset-646	88	15	and	and	CCONJ
ajset-646	88	16	reductant	reductant	NOUN
ajset-646	88	17	(	(	PUNCT
ajset-646	88	18	at	at	ADP
ajset-646	88	19	ph	ph	NOUN
ajset-646	88	20	0	0	NUM
ajset-646	88	21	)	)	PUNCT
ajset-646	88	22	.	.	PUNCT
ajset-646	89	1	the	the	DET
ajset-646	89	2	reduction	reduction	NOUN
ajset-646	89	3	potential	potential	NOUN
ajset-646	89	4	is	be	AUX
ajset-646	89	5	related	relate	VERB
ajset-646	89	6	to	to	ADP
ajset-646	89	7	the	the	DET
ajset-646	89	8	free	free	ADJ
ajset-646	89	9	energy	energy	NOUN
ajset-646	89	10	that	that	PRON
ajset-646	89	11	the	the	DET
ajset-646	89	12	catalyst	catalyst	NOUN
ajset-646	89	13	needs	need	VERB
ajset-646	89	14	to	to	PART
ajset-646	89	15	obtain	obtain	VERB
ajset-646	89	16	n	n	DET
ajset-646	89	17	electrons	electron	NOUN
ajset-646	89	18	from	from	ADP
ajset-646	89	19	the	the	DET
ajset-646	89	20	normal	normal	ADJ
ajset-646	89	21	hydrogen	hydrogen	NOUN
ajset-646	89	22	electrode	electrode	NOUN
ajset-646	89	23	via	via	ADP
ajset-646	89	24	the	the	DET
ajset-646	89	25	reaction	reaction	NOUN
ajset-646	89	26	as	as	ADP
ajset-646	89	27	in	in	ADP
ajset-646	89	28	equation	equation	NOUN
ajset-646	89	29	(	(	PUNCT
ajset-646	89	30	5	5	NUM
ajset-646	89	31	)	)	PUNCT
ajset-646	89	32	.	.	PUNCT
ajset-646	90	1	h++eg	h++eg	PRON
ajset-646	90	2	®	®	NOUN
ajset-646	90	3	(	(	PUNCT
ajset-646	90	4	1/2	1/2	NUM
ajset-646	90	5	)	)	PUNCT
ajset-646	90	6	h2	h2	NOUN
ajset-646	90	7	(	(	PUNCT
ajset-646	90	8	5	5	NUM
ajset-646	90	9	)	)	PUNCT
ajset-646	90	10	as	as	SCONJ
ajset-646	90	11	illustrated	illustrate	VERB
ajset-646	90	12	in	in	ADP
ajset-646	90	13	the	the	DET
ajset-646	90	14	thermodynamic	thermodynamic	ADJ
ajset-646	90	15	cycle	cycle	NOUN
ajset-646	90	16	,	,	PUNCT
ajset-646	90	17	the	the	DET
ajset-646	90	18	number	number	NOUN
ajset-646	90	19	of	of	ADP
ajset-646	90	20	protons	proton	NOUN
ajset-646	90	21	is	be	AUX
ajset-646	90	22	designated	designate	VERB
ajset-646	90	23	by	by	ADP
ajset-646	90	24	m	m	PROPN
ajset-646	90	25	and	and	CCONJ
ajset-646	90	26	the	the	DET
ajset-646	90	27	number	number	NOUN
ajset-646	90	28	of	of	ADP
ajset-646	90	29	electrons	electron	NOUN
ajset-646	90	30	is	be	AUX
ajset-646	90	31	designated	designate	VERB
ajset-646	90	32	by	by	ADP
ajset-646	90	33	n.	n.	NOUN
ajset-646	90	34	as	as	ADP
ajset-646	90	35	such	such	ADJ
ajset-646	90	36	,	,	PUNCT
ajset-646	90	37	the	the	DET
ajset-646	90	38	slope	slope	NOUN
ajset-646	90	39	of	of	ADP
ajset-646	90	40	the	the	DET
ajset-646	90	41	reduction	reduction	NOUN
ajset-646	90	42	potential	potential	NOUN
ajset-646	90	43	with	with	ADP
ajset-646	90	44	respect	respect	NOUN
ajset-646	90	45	to	to	ADP
ajset-646	90	46	ph	ph	NOUN
ajset-646	90	47	is	be	AUX
ajset-646	90	48	governed	govern	VERB
ajset-646	90	49	by	by	ADP
ajset-646	90	50	the	the	DET
ajset-646	90	51	ratio	ratio	NOUN
ajset-646	90	52	m	m	PROPN
ajset-646	90	53	/	/	SYM
ajset-646	90	54	n.	n.	PROPN
ajset-646	90	55	the	the	DET
ajset-646	90	56	solvation	solvation	NOUN
ajset-646	90	57	free	free	ADJ
ajset-646	90	58	-	-	PUNCT
ajset-646	90	59	energy	energy	NOUN
ajset-646	90	60	of	of	ADP
ajset-646	90	61	h2	h2	NOUN
ajset-646	90	62	is	be	AUX
ajset-646	90	63	calculated	calculate	VERB
ajset-646	90	64	in	in	ADP
ajset-646	90	65	acetonitrile	acetonitrile	ADJ
ajset-646	90	66	solution	solution	NOUN
ajset-646	90	67	using	use	VERB
ajset-646	90	68	the	the	DET
ajset-646	90	69	same	same	ADJ
ajset-646	90	70	optimization	optimization	NOUN
ajset-646	90	71	parameters	parameter	NOUN
ajset-646	90	72	as	as	ADP
ajset-646	90	73	in	in	ADP
ajset-646	90	74	the	the	DET
ajset-646	90	75	model	model	NOUN
ajset-646	90	76	systems	system	NOUN
ajset-646	90	77	.	.	PUNCT
ajset-646	91	1	the	the	DET
ajset-646	91	2	inherent	inherent	ADJ
ajset-646	91	3	error	error	NOUN
ajset-646	91	4	arising	arise	VERB
ajset-646	91	5	from	from	ADP
ajset-646	91	6	the	the	DET
ajset-646	91	7	approximations	approximation	NOUN
ajset-646	91	8	introduced	introduce	VERB
ajset-646	91	9	by	by	ADP
ajset-646	91	10	the	the	DET
ajset-646	91	11	implicit	implicit	ADJ
ajset-646	91	12	solvation	solvation	NOUN
ajset-646	91	13	model	model	NOUN
ajset-646	91	14	is	be	AUX
ajset-646	91	15	estimated	estimate	VERB
ajset-646	91	16	to	to	PART
ajset-646	91	17	be	be	AUX
ajset-646	91	18	on	on	ADP
ajset-646	91	19	the	the	DET
ajset-646	91	20	order	order	NOUN
ajset-646	91	21	of	of	ADP
ajset-646	91	22	0.09	0.09	NUM
ajset-646	91	23	-	-	PUNCT
ajset-646	91	24	0.13v	0.13v	NOUN
ajset-646	91	25	.	.	PUNCT
ajset-646	92	1	this	this	DET
ajset-646	92	2	error	error	NOUN
ajset-646	92	3	corresponds	correspond	VERB
ajset-646	92	4	to	to	ADP
ajset-646	92	5	pka	pka	VERB
ajset-646	92	6	differences	difference	NOUN
ajset-646	92	7	of	of	ADP
ajset-646	92	8	around	around	ADV
ajset-646	92	9	2	2	NUM
ajset-646	92	10	ph	ph	NOUN
ajset-646	92	11	units	unit	NOUN
ajset-646	92	12	with	with	ADP
ajset-646	92	13	respect	respect	NOUN
ajset-646	92	14	to	to	ADP
ajset-646	92	15	the	the	DET
ajset-646	92	16	experiments	experiment	NOUN
ajset-646	92	17	.	.	PUNCT
ajset-646	93	1	4	4	X
ajset-646	93	2	.	.	X
ajset-646	93	3	results	result	VERB
ajset-646	93	4	a.	a.	PROPN
ajset-646	93	5	mechanistic	mechanistic	ADJ
ajset-646	93	6	routes	route	NOUN
ajset-646	93	7	for	for	ADP
ajset-646	93	8	h2	h2	NOUN
ajset-646	93	9	oxidation	oxidation	NOUN
ajset-646	93	10	/	/	SYM
ajset-646	93	11	production	production	NOUN
ajset-646	93	12	.	.	PUNCT
ajset-646	94	1	based	base	VERB
ajset-646	94	2	on	on	ADP
ajset-646	94	3	several	several	ADJ
ajset-646	94	4	studies	study	NOUN
ajset-646	94	5	on	on	ADP
ajset-646	94	6	hydrogenase	hydrogenase	ADJ
ajset-646	94	7	enzymes,19,48	enzymes,19,48	NOUN
ajset-646	94	8	the	the	DET
ajset-646	94	9	mechanism	mechanism	NOUN
ajset-646	94	10	for	for	ADP
ajset-646	94	11	h2	h2	NOUN
ajset-646	94	12	oxidation	oxidation	NOUN
ajset-646	94	13	/	/	SYM
ajset-646	94	14	production	production	NOUN
ajset-646	94	15	is	be	AUX
ajset-646	94	16	thought	think	VERB
ajset-646	94	17	to	to	PART
ajset-646	94	18	proceed	proceed	VERB
ajset-646	94	19	via	via	ADP
ajset-646	94	20	a	a	DET
ajset-646	94	21	heterolytically	heterolytically	ADV
ajset-646	94	22	cleaved	cleave	VERB
ajset-646	94	23	intermediate	intermediate	ADJ
ajset-646	94	24	in	in	ADP
ajset-646	94	25	which	which	PRON
ajset-646	94	26	the	the	DET
ajset-646	94	27	hydride	hydride	NOUN
ajset-646	94	28	ion	ion	NOUN
ajset-646	94	29	is	be	AUX
ajset-646	94	30	attached	attach	VERB
ajset-646	94	31	to	to	ADP
ajset-646	94	32	the	the	DET
ajset-646	94	33	metal	metal	NOUN
ajset-646	94	34	center	center	NOUN
ajset-646	94	35	,	,	PUNCT
ajset-646	94	36	forming	form	VERB
ajset-646	94	37	a	a	DET
ajset-646	94	38	metal	metal	NOUN
ajset-646	94	39	hydride	hydride	NOUN
ajset-646	94	40	,	,	PUNCT
ajset-646	94	41	and	and	CCONJ
ajset-646	94	42	the	the	DET
ajset-646	94	43	proton	proton	NOUN
ajset-646	94	44	is	be	AUX
ajset-646	94	45	attached	attach	VERB
ajset-646	94	46	to	to	ADP
ajset-646	94	47	the	the	DET
ajset-646	94	48	base	base	NOUN
ajset-646	94	49	.	.	PUNCT
ajset-646	95	1	we	we	PRON
ajset-646	95	2	define	define	VERB
ajset-646	95	3	this	this	PRON
ajset-646	95	4	as	as	ADP
ajset-646	95	5	type	type	NOUN
ajset-646	95	6	-	-	PUNCT
ajset-646	95	7	i	i	NOUN
ajset-646	95	8	h2	h2	NOUN
ajset-646	95	9	bond	bond	NOUN
ajset-646	95	10	cleavage	cleavage	NOUN
ajset-646	95	11	.	.	PUNCT
ajset-646	96	1	an	an	DET
ajset-646	96	2	alternative	alternative	NOUN
ajset-646	96	3	to	to	ADP
ajset-646	96	4	this	this	DET
ajset-646	96	5	type	type	NOUN
ajset-646	96	6	-	-	PUNCT
ajset-646	96	7	i	i	NOUN
ajset-646	96	8	h2	h2	NOUN
ajset-646	96	9	bond	bond	NOUN
ajset-646	96	10	cleaved	cleave	VERB
ajset-646	96	11	intermediate	intermediate	ADJ
ajset-646	96	12	is	be	AUX
ajset-646	96	13	the	the	DET
ajset-646	96	14	second	second	ADJ
ajset-646	96	15	heterolytically	heterolytically	ADV
ajset-646	96	16	cleaved	cleaved	ADJ
ajset-646	96	17	intermediate	intermediate	ADJ
ajset-646	96	18	,	,	PUNCT
ajset-646	96	19	which	which	PRON
ajset-646	96	20	has	have	AUX
ajset-646	96	21	been	be	AUX
ajset-646	96	22	observed	observe	VERB
ajset-646	96	23	experimentally	experimentally	ADV
ajset-646	96	24	by	by	ADP
ajset-646	96	25	nmr	nmr	NOUN
ajset-646	96	26	spectroscopy	spectroscopy	NOUN
ajset-646	96	27	in	in	ADP
ajset-646	96	28	some	some	DET
ajset-646	96	29	characterized	characterize	VERB
ajset-646	96	30	catalyst	catalyst	NOUN
ajset-646	96	31	models	model	NOUN
ajset-646	96	32	,	,	PUNCT
ajset-646	96	33	in	in	ADP
ajset-646	96	34	which	which	PRON
ajset-646	96	35	both	both	DET
ajset-646	96	36	protons	proton	NOUN
ajset-646	96	37	from	from	ADP
ajset-646	96	38	the	the	DET
ajset-646	96	39	hydrogen	hydrogen	NOUN
ajset-646	96	40	molecule	molecule	NOUN
ajset-646	96	41	attach	attach	NOUN
ajset-646	96	42	to	to	ADP
ajset-646	96	43	different	different	ADJ
ajset-646	96	44	pendent	pendent	ADJ
ajset-646	96	45	base	base	NOUN
ajset-646	96	46	groups	group	NOUN
ajset-646	96	47	while	while	SCONJ
ajset-646	96	48	the	the	DET
ajset-646	96	49	two	two	NUM
ajset-646	96	50	electrons	electron	NOUN
ajset-646	96	51	reduce	reduce	VERB
ajset-646	96	52	the	the	DET
ajset-646	96	53	niii	niii	NOUN
ajset-646	96	54	metal	metal	NOUN
ajset-646	96	55	center	center	NOUN
ajset-646	96	56	to	to	ADP
ajset-646	96	57	ni0	ni0	PROPN
ajset-646	96	58	.	.	PUNCT
ajset-646	97	1	we	we	PRON
ajset-646	97	2	define	define	VERB
ajset-646	97	3	this	this	PRON
ajset-646	97	4	as	as	ADP
ajset-646	97	5	type	type	NOUN
ajset-646	97	6	-	-	PUNCT
ajset-646	97	7	ii	ii	NOUN
ajset-646	97	8	h2	h2	NOUN
ajset-646	97	9	bond	bond	NOUN
ajset-646	97	10	cleavage	cleavage	NOUN
ajset-646	97	11	.	.	PUNCT
ajset-646	98	1	the	the	DET
ajset-646	98	2	ability	ability	NOUN
ajset-646	98	3	to	to	PART
ajset-646	98	4	reach	reach	VERB
ajset-646	98	5	higher	high	ADJ
ajset-646	98	6	or	or	CCONJ
ajset-646	98	7	lower	low	ADJ
ajset-646	98	8	oxidation	oxidation	NOUN
ajset-646	98	9	states	state	NOUN
ajset-646	98	10	of	of	ADP
ajset-646	98	11	the	the	DET
ajset-646	98	12	metal	metal	NOUN
ajset-646	98	13	and	and	CCONJ
ajset-646	98	14	to	to	PART
ajset-646	98	15	change	change	VERB
ajset-646	98	16	the	the	DET
ajset-646	98	17	basicity	basicity	NOUN
ajset-646	98	18	of	of	ADP
ajset-646	98	19	the	the	DET
ajset-646	98	20	pendent	pendent	PROPN
ajset-646	98	21	base(s	base(s	PROPN
ajset-646	98	22	)	)	PUNCT
ajset-646	98	23	can	can	AUX
ajset-646	98	24	be	be	AUX
ajset-646	98	25	tuned	tune	VERB
ajset-646	98	26	by	by	ADP
ajset-646	98	27	the	the	DET
ajset-646	98	28	choice	choice	NOUN
ajset-646	98	29	of	of	ADP
ajset-646	98	30	substituent	substituent	NOUN
ajset-646	98	31	on	on	ADP
ajset-646	98	32	the	the	DET
ajset-646	98	33	catalyst	catalyst	NOUN
ajset-646	98	34	as	as	SCONJ
ajset-646	98	35	shown	show	VERB
ajset-646	98	36	in	in	ADP
ajset-646	98	37	our	our	PRON
ajset-646	98	38	previous	previous	ADJ
ajset-646	98	39	studies.42	studies.42	NOUN
ajset-646	98	40	in	in	ADP
ajset-646	98	41	this	this	DET
ajset-646	98	42	paper	paper	NOUN
ajset-646	98	43	,	,	PUNCT
ajset-646	98	44	we	we	PRON
ajset-646	98	45	describe	describe	VERB
ajset-646	98	46	possible	possible	ADJ
ajset-646	98	47	mechanistic	mechanistic	ADJ
ajset-646	98	48	routes	route	NOUN
ajset-646	98	49	for	for	ADP
ajset-646	98	50	h2	h2	NOUN
ajset-646	98	51	oxidation	oxidation	NOUN
ajset-646	98	52	and	and	CCONJ
ajset-646	98	53	production	production	NOUN
ajset-646	98	54	which	which	PRON
ajset-646	98	55	involve	involve	VERB
ajset-646	98	56	type	type	NOUN
ajset-646	98	57	-	-	PUNCT
ajset-646	98	58	i	i	PRON
ajset-646	98	59	and	and	CCONJ
ajset-646	98	60	typeii	typeii	NOUN
ajset-646	98	61	h2	h2	NOUN
ajset-646	98	62	bond	bond	NOUN
ajset-646	98	63	cleaved	cleave	VERB
ajset-646	98	64	intermediates	intermediate	NOUN
ajset-646	98	65	.	.	PUNCT
ajset-646	99	1	analysis	analysis	NOUN
ajset-646	99	2	of	of	ADP
ajset-646	99	3	the	the	DET
ajset-646	99	4	intermediates	intermediate	NOUN
ajset-646	99	5	appearing	appear	VERB
ajset-646	99	6	in	in	ADP
ajset-646	99	7	nonelectrochemical	nonelectrochemical	ADJ
ajset-646	99	8	and	and	CCONJ
ajset-646	99	9	electrochemical	electrochemical	ADJ
ajset-646	99	10	reactions	reaction	NOUN
ajset-646	99	11	and	and	CCONJ
ajset-646	99	12	the	the	DET
ajset-646	99	13	free	free	ADJ
ajset-646	99	14	-	-	PUNCT
ajset-646	99	15	energies	energy	NOUN
ajset-646	99	16	along	along	ADP
ajset-646	99	17	these	these	DET
ajset-646	99	18	two	two	NUM
ajset-646	99	19	main	main	ADJ
ajset-646	99	20	routes	route	NOUN
ajset-646	99	21	,	,	PUNCT
ajset-646	99	22	type	type	NOUN
ajset-646	99	23	-	-	PUNCT
ajset-646	99	24	i	i	NOUN
ajset-646	99	25	and	and	CCONJ
ajset-646	99	26	type	type	NOUN
ajset-646	99	27	-	-	PUNCT
ajset-646	99	28	ii	ii	NOUN
ajset-646	99	29	h2	h2	NOUN
ajset-646	99	30	bond	bond	NOUN
ajset-646	99	31	cleaved	cleaved	ADJ
ajset-646	99	32	intermediates	intermediate	NOUN
ajset-646	99	33	,	,	PUNCT
ajset-646	99	34	can	can	AUX
ajset-646	99	35	be	be	AUX
ajset-646	99	36	linked	link	VERB
ajset-646	99	37	to	to	ADP
ajset-646	99	38	the	the	DET
ajset-646	99	39	experimental	experimental	ADJ
ajset-646	99	40	operating	operating	NOUN
ajset-646	99	41	regime	regime	NOUN
ajset-646	99	42	and	and	CCONJ
ajset-646	99	43	offers	offer	VERB
ajset-646	99	44	insight	insight	NOUN
ajset-646	99	45	into	into	ADP
ajset-646	99	46	which	which	PRON
ajset-646	99	47	conditions	condition	NOUN
ajset-646	99	48	can	can	AUX
ajset-646	99	49	be	be	AUX
ajset-646	99	50	tuned	tune	VERB
ajset-646	99	51	for	for	ADP
ajset-646	99	52	optimal	optimal	ADJ
ajset-646	99	53	catalyst	catalyst	NOUN
ajset-646	99	54	performance	performance	NOUN
ajset-646	99	55	.	.	PUNCT
ajset-646	100	1	the	the	DET
ajset-646	100	2	possible	possible	ADJ
ajset-646	100	3	mechanistic	mechanistic	ADJ
ajset-646	100	4	routes	route	NOUN
ajset-646	100	5	for	for	ADP
ajset-646	100	6	both	both	DET
ajset-646	100	7	[	[	X
ajset-646	100	8	ni(pph	ni(pph	PROPN
ajset-646	100	9	2n	2n	NUM
ajset-646	100	10	ph	ph	PROPN
ajset-646	100	11	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	100	12	)	)	PUNCT
ajset-646	100	13	]	]	PUNCT
ajset-646	100	14	and	and	CCONJ
ajset-646	100	15	[	[	X
ajset-646	100	16	ni(pcy	ni(pcy	ADJ
ajset-646	100	17	2n	2n	ADJ
ajset-646	100	18	bz	bz	PROPN
ajset-646	100	19	2)2	2)2	PROPN
ajset-646	100	20	]	]	PUNCT
ajset-646	100	21	models	model	NOUN
ajset-646	100	22	have	have	AUX
ajset-646	100	23	been	be	AUX
ajset-646	100	24	generically	generically	ADV
ajset-646	100	25	summarized	summarize	VERB
ajset-646	100	26	in	in	ADP
ajset-646	100	27	fig	fig	NOUN
ajset-646	100	28	.	.	PUNCT
ajset-646	101	1	3	3	X
ajset-646	101	2	.	.	X
ajset-646	101	3	starting	start	VERB
ajset-646	101	4	from	from	ADP
ajset-646	101	5	the	the	DET
ajset-646	101	6	bare	bare	ADJ
ajset-646	101	7	catalyst	catalyst	NOUN
ajset-646	101	8	with	with	ADP
ajset-646	101	9	the	the	DET
ajset-646	101	10	metal	metal	NOUN
ajset-646	101	11	in	in	ADP
ajset-646	101	12	the	the	DET
ajset-646	101	13	2	2	NUM
ajset-646	101	14	+	+	NUM
ajset-646	101	15	oxidation	oxidation	NOUN
ajset-646	101	16	state	state	NOUN
ajset-646	101	17	,	,	PUNCT
ajset-646	101	18	intermediate	intermediate	ADJ
ajset-646	101	19	(	(	PUNCT
ajset-646	101	20	0	0	NUM
ajset-646	101	21	)	)	PUNCT
ajset-646	101	22	,	,	PUNCT
ajset-646	101	23	upon	upon	SCONJ
ajset-646	101	24	addition	addition	NOUN
ajset-646	101	25	of	of	ADP
ajset-646	101	26	the	the	DET
ajset-646	101	27	h2	h2	NOUN
ajset-646	101	28	molecule	molecule	NOUN
ajset-646	101	29	leads	lead	VERB
ajset-646	101	30	to	to	ADP
ajset-646	101	31	two	two	NUM
ajset-646	101	32	main	main	ADJ
ajset-646	101	33	branches	branch	NOUN
ajset-646	101	34	considered	consider	VERB
ajset-646	101	35	herein	herein	NOUN
ajset-646	101	36	.	.	PUNCT
ajset-646	102	1	the	the	DET
ajset-646	102	2	first	first	ADJ
ajset-646	102	3	branch	branch	NOUN
ajset-646	102	4	(	(	PUNCT
ajset-646	102	5	g	g	PROPN
ajset-646	102	6	)	)	PUNCT
ajset-646	102	7	o	o	NOUN
ajset-646	102	8	red	red	ADJ
ajset-646	102	9	|	|	PROPN
ajset-646	102	10	ox	ox	NOUN
ajset-646	102	11	g	g	PROPN
ajset-646	102	12	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	102	13	academic	academic	ADJ
ajset-646	102	14	journal	journal	NOUN
ajset-646	102	15	of	of	ADP
ajset-646	102	16	science	science	NOUN
ajset-646	102	17	,	,	PUNCT
ajset-646	102	18	engineering	engineering	NOUN
ajset-646	102	19	and	and	CCONJ
ajset-646	102	20	technology	technology	NOUN
ajset-646	102	21	vol.6	vol.6	PROPN
ajset-646	102	22	,	,	PUNCT
ajset-646	102	23	issue	issue	NOUN
ajset-646	102	24	5	5	NUM
ajset-646	102	25	;	;	PUNCT
ajset-646	102	26	september	september	PROPN
ajset-646	102	27	october	october	PROPN
ajset-646	102	28	2021	2021	NUM
ajset-646	102	29	;	;	PUNCT
ajset-646	102	30	1252	1252	NUM
ajset-646	102	31	columbia	columbia	PROPN
ajset-646	102	32	rd	rd	PROPN
ajset-646	102	33	nw	nw	PROPN
ajset-646	102	34	,	,	PUNCT
ajset-646	102	35	washington	washington	PROPN
ajset-646	102	36	dc	dc	PROPN
ajset-646	102	37	,	,	PUNCT
ajset-646	102	38	united	united	PROPN
ajset-646	102	39	states	states	PROPN
ajset-646	102	40	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	102	41	;	;	PUNCT
ajset-646	102	42	mail	mail	NOUN
ajset-646	102	43	:	:	PUNCT
ajset-646	102	44	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	102	45	6	6	NUM
ajset-646	102	46	|	|	ADV
ajset-646	102	47	a	a	DET
ajset-646	102	48	c	c	NOUN
ajset-646	102	49	a	a	PRON
ajset-646	102	50	d	d	X
ajset-646	102	51	e	e	NOUN
ajset-646	102	52	m	m	NOUN
ajset-646	102	53	i	i	NOUN
ajset-646	102	54	c	c	NOUN
ajset-646	102	55	j	j	NOUN
ajset-646	102	56	o	o	X
ajset-646	102	57	u	u	NOUN
ajset-646	102	58	r	r	NOUN
ajset-646	102	59	n	n	NOUN
ajset-646	102	60	a	a	DET
ajset-646	102	61	l	l	NOUN
ajset-646	102	62	o	o	X
ajset-646	103	1	f	f	X
ajset-646	103	2	s	s	X
ajset-646	103	3	c	c	NOUN
ajset-646	104	1	i	i	NOUN
ajset-646	104	2	e	e	PROPN
ajset-646	104	3	n	n	PROPN
ajset-646	104	4	c	c	NOUN
ajset-646	104	5	e	e	X
ajset-646	104	6	,	,	PUNCT
ajset-646	104	7	e	e	PROPN
ajset-646	104	8	n	n	PRON
ajset-646	104	9	g	g	NOUN
ajset-646	104	10	i	i	PRON
ajset-646	104	11	n	n	VERB
ajset-646	104	12	e	e	NOUN
ajset-646	104	13	e	e	NOUN
ajset-646	104	14	r	r	VERB
ajset-646	104	15	i	i	PRON
ajset-646	104	16	n	n	CCONJ
ajset-646	104	17	g	g	PROPN
ajset-646	104	18	a	a	DET
ajset-646	104	19	n	n	NOUN
ajset-646	104	20	d	d	NOUN
ajset-646	104	21	t	t	NOUN
ajset-646	104	22	e	e	X
ajset-646	104	23	c	c	NOUN
ajset-646	104	24	h	h	NOUN
ajset-646	104	25	n	n	ADV
ajset-646	104	26	o	o	NOUN
ajset-646	104	27	l	l	NOUN
ajset-646	105	1	o	o	X
ajset-646	105	2	g	g	NOUN
ajset-646	105	3	y	y	PROPN
ajset-646	105	4	|	|	ADV
ajset-646	105	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	NOUN
ajset-646	105	6	leads	lead	VERB
ajset-646	105	7	to	to	ADP
ajset-646	105	8	intermediate	intermediate	ADJ
ajset-646	105	9	(	(	PUNCT
ajset-646	105	10	1a	1a	NUM
ajset-646	105	11	)	)	PUNCT
ajset-646	105	12	in	in	ADP
ajset-646	105	13	which	which	PRON
ajset-646	105	14	a	a	DET
ajset-646	105	15	type	type	NOUN
ajset-646	105	16	-	-	PUNCT
ajset-646	105	17	ii	ii	NOUN
ajset-646	105	18	bond	bond	NOUN
ajset-646	105	19	cleaved	cleaved	ADJ
ajset-646	105	20	h2	h2	NOUN
ajset-646	105	21	symmetrically	symmetrically	ADV
ajset-646	105	22	protonates	protonate	VERB
ajset-646	105	23	both	both	DET
ajset-646	105	24	nitrogen	nitrogen	NOUN
ajset-646	105	25	base	base	NOUN
ajset-646	105	26	sites	site	NOUN
ajset-646	105	27	and	and	CCONJ
ajset-646	105	28	the	the	DET
ajset-646	105	29	electron	electron	NOUN
ajset-646	105	30	reduces	reduce	VERB
ajset-646	105	31	the	the	DET
ajset-646	105	32	metal	metal	NOUN
ajset-646	105	33	to	to	ADP
ajset-646	105	34	the	the	DET
ajset-646	105	35	ni0	ni0	PROPN
ajset-646	105	36	state	state	NOUN
ajset-646	105	37	.	.	PUNCT
ajset-646	106	1	in	in	ADP
ajset-646	106	2	a	a	DET
ajset-646	106	3	recent	recent	ADJ
ajset-646	106	4	publication	publication	NOUN
ajset-646	106	5	,	,	PUNCT
ajset-646	106	6	the	the	DET
ajset-646	106	7	ni0	ni0	PROPN
ajset-646	106	8	intermediate	intermediate	PROPN
ajset-646	106	9	is	be	AUX
ajset-646	106	10	described	describe	VERB
ajset-646	106	11	as	as	ADP
ajset-646	106	12	being	be	AUX
ajset-646	106	13	important	important	ADJ
ajset-646	106	14	to	to	ADP
ajset-646	106	15	intramolecular	intramolecular	ADJ
ajset-646	106	16	proton	proton	NOUN
ajset-646	106	17	exchange	exchange	NOUN
ajset-646	106	18	processes	process	NOUN
ajset-646	106	19	in	in	ADP
ajset-646	106	20	the	the	DET
ajset-646	106	21	cycle.49	cycle.49	NOUN
ajset-646	106	22	the	the	DET
ajset-646	106	23	second	second	ADJ
ajset-646	106	24	branch	branch	NOUN
ajset-646	106	25	leads	lead	VERB
ajset-646	106	26	to	to	ADP
ajset-646	106	27	intermediate	intermediate	ADJ
ajset-646	106	28	(	(	PUNCT
ajset-646	106	29	1b	1b	NUM
ajset-646	106	30	)	)	PUNCT
ajset-646	106	31	in	in	ADP
ajset-646	106	32	which	which	PRON
ajset-646	106	33	a	a	DET
ajset-646	106	34	type	type	NOUN
ajset-646	106	35	-	-	PUNCT
ajset-646	106	36	i	i	PRON
ajset-646	106	37	bond	bond	NOUN
ajset-646	106	38	cleaved	cleaved	ADJ
ajset-646	106	39	h2	h2	NOUN
ajset-646	106	40	asymmetrically	asymmetrically	ADV
ajset-646	106	41	protonates	protonate	VERB
ajset-646	106	42	the	the	DET
ajset-646	106	43	nitrogen	nitrogen	NOUN
ajset-646	106	44	base	base	NOUN
ajset-646	106	45	site	site	NOUN
ajset-646	106	46	and	and	CCONJ
ajset-646	106	47	adds	add	VERB
ajset-646	106	48	a	a	DET
ajset-646	106	49	hydride	hydride	NOUN
ajset-646	106	50	(	(	PUNCT
ajset-646	106	51	h-	h-	X
ajset-646	106	52	)	)	PUNCT
ajset-646	106	53	to	to	ADP
ajset-646	106	54	the	the	DET
ajset-646	106	55	metal	metal	NOUN
ajset-646	106	56	center	center	NOUN
ajset-646	106	57	.	.	PUNCT
ajset-646	107	1	the	the	DET
ajset-646	107	2	h2	h2	PROPN
ajset-646	107	3	addition	addition	NOUN
ajset-646	107	4	reaction	reaction	NOUN
ajset-646	107	5	from	from	ADP
ajset-646	107	6	intermediates	intermediate	NOUN
ajset-646	107	7	0	0	NUM
ajset-646	107	8	1	1	NUM
ajset-646	107	9	is	be	AUX
ajset-646	107	10	considered	consider	VERB
ajset-646	107	11	a	a	DET
ajset-646	107	12	nonelectrochemical	nonelectrochemical	ADJ
ajset-646	107	13	reaction	reaction	NOUN
ajset-646	107	14	and	and	CCONJ
ajset-646	107	15	relies	rely	VERB
ajset-646	107	16	on	on	ADP
ajset-646	107	17	a	a	DET
ajset-646	107	18	reasonable	reasonable	ADJ
ajset-646	107	19	activation	activation	NOUN
ajset-646	107	20	free	free	ADJ
ajset-646	107	21	energy	energy	NOUN
ajset-646	107	22	needed	need	VERB
ajset-646	107	23	to	to	PART
ajset-646	107	24	form	form	VERB
ajset-646	107	25	either	either	CCONJ
ajset-646	107	26	(	(	PUNCT
ajset-646	107	27	1a	1a	X
ajset-646	107	28	)	)	PUNCT
ajset-646	107	29	or	or	CCONJ
ajset-646	107	30	(	(	PUNCT
ajset-646	107	31	1b	1b	NUM
ajset-646	107	32	)	)	PUNCT
ajset-646	107	33	.	.	PUNCT
ajset-646	108	1	the	the	DET
ajset-646	108	2	next	next	ADJ
ajset-646	108	3	step	step	NOUN
ajset-646	108	4	towards	towards	ADP
ajset-646	108	5	h2	h2	NOUN
ajset-646	108	6	oxidation	oxidation	NOUN
ajset-646	108	7	is	be	AUX
ajset-646	108	8	the	the	DET
ajset-646	108	9	first	first	ADJ
ajset-646	108	10	of	of	ADP
ajset-646	108	11	the	the	DET
ajset-646	108	12	two	two	NUM
ajset-646	108	13	electrochemical	electrochemical	ADJ
ajset-646	108	14	reactions	reaction	NOUN
ajset-646	108	15	shown	show	VERB
ajset-646	108	16	in	in	ADP
ajset-646	108	17	the	the	DET
ajset-646	108	18	chemical	chemical	NOUN
ajset-646	108	19	equation	equation	NOUN
ajset-646	108	20	h2	h2	NOUN
ajset-646	108	21	2h+	2h+	NUM
ajset-646	109	1	+	+	CCONJ
ajset-646	109	2	2e-.50	2e-.50	NUM
ajset-646	109	3	these	these	DET
ajset-646	109	4	electrochemical	electrochemical	ADJ
ajset-646	109	5	reactions	reaction	NOUN
ajset-646	109	6	depend	depend	VERB
ajset-646	109	7	on	on	ADP
ajset-646	109	8	the	the	DET
ajset-646	109	9	potential	potential	NOUN
ajset-646	109	10	applied	apply	VERB
ajset-646	109	11	to	to	ADP
ajset-646	109	12	the	the	DET
ajset-646	109	13	electrodes	electrode	NOUN
ajset-646	109	14	and	and	CCONJ
ajset-646	109	15	the	the	DET
ajset-646	109	16	ph	ph	NOUN
ajset-646	109	17	of	of	ADP
ajset-646	109	18	the	the	DET
ajset-646	109	19	solution	solution	NOUN
ajset-646	109	20	.	.	PUNCT
ajset-646	110	1	the	the	DET
ajset-646	110	2	balance	balance	NOUN
ajset-646	110	3	between	between	ADP
ajset-646	110	4	ph	ph	NOUN
ajset-646	110	5	and	and	CCONJ
ajset-646	110	6	potential	potential	NOUN
ajset-646	110	7	will	will	AUX
ajset-646	110	8	dictate	dictate	VERB
ajset-646	110	9	whether	whether	SCONJ
ajset-646	110	10	the	the	DET
ajset-646	110	11	proton	proton	NOUN
ajset-646	110	12	and	and	CCONJ
ajset-646	110	13	electron	electron	NOUN
ajset-646	110	14	transfers	transfer	NOUN
ajset-646	110	15	occur	occur	VERB
ajset-646	110	16	sequentially	sequentially	ADV
ajset-646	110	17	or	or	CCONJ
ajset-646	110	18	in	in	ADP
ajset-646	110	19	a	a	DET
ajset-646	110	20	concerted	concerted	ADJ
ajset-646	110	21	manner	manner	NOUN
ajset-646	110	22	described	describe	VERB
ajset-646	110	23	as	as	ADP
ajset-646	110	24	proton	proton	NOUN
ajset-646	110	25	-	-	PUNCT
ajset-646	110	26	coupled	couple	VERB
ajset-646	110	27	electron	electron	NOUN
ajset-646	110	28	transfer	transfer	NOUN
ajset-646	110	29	(	(	PUNCT
ajset-646	110	30	pcet	pcet	NUM
ajset-646	110	31	)	)	PUNCT
ajset-646	110	32	.	.	PUNCT
ajset-646	111	1	as	as	SCONJ
ajset-646	111	2	shown	show	VERB
ajset-646	111	3	in	in	ADP
ajset-646	111	4	fig	fig	NOUN
ajset-646	111	5	.	.	PUNCT
ajset-646	112	1	3	3	NUM
ajset-646	112	2	,	,	PUNCT
ajset-646	112	3	if	if	SCONJ
ajset-646	112	4	sequential	sequential	ADJ
ajset-646	112	5	electrochemical	electrochemical	ADJ
ajset-646	112	6	reactions	reaction	NOUN
ajset-646	112	7	occur	occur	VERB
ajset-646	112	8	then	then	ADV
ajset-646	112	9	intermediates	intermediate	VERB
ajset-646	112	10	(	(	PUNCT
ajset-646	112	11	2a	2a	NUM
ajset-646	112	12	)	)	PUNCT
ajset-646	112	13	,	,	PUNCT
ajset-646	112	14	(	(	PUNCT
ajset-646	112	15	2b	2b	NUM
ajset-646	112	16	)	)	PUNCT
ajset-646	112	17	,	,	PUNCT
ajset-646	112	18	(	(	PUNCT
ajset-646	112	19	3a	3a	NUM
ajset-646	112	20	)	)	PUNCT
ajset-646	112	21	,	,	PUNCT
ajset-646	112	22	and	and	CCONJ
ajset-646	112	23	(	(	PUNCT
ajset-646	112	24	3b	3b	NUM
ajset-646	112	25	)	)	PUNCT
ajset-646	112	26	can	can	AUX
ajset-646	112	27	be	be	AUX
ajset-646	112	28	isolated	isolate	VERB
ajset-646	112	29	and	and	CCONJ
ajset-646	112	30	characterized	characterize	VERB
ajset-646	112	31	depending	depend	VERB
ajset-646	112	32	on	on	ADP
ajset-646	112	33	whether	whether	SCONJ
ajset-646	112	34	intermediate	intermediate	ADJ
ajset-646	112	35	(	(	PUNCT
ajset-646	112	36	1a	1a	NUM
ajset-646	112	37	)	)	PUNCT
ajset-646	112	38	or	or	CCONJ
ajset-646	112	39	(	(	PUNCT
ajset-646	112	40	1b	1b	NUM
ajset-646	112	41	)	)	PUNCT
ajset-646	112	42	prevails	prevail	VERB
ajset-646	112	43	after	after	ADP
ajset-646	112	44	h2	h2	NOUN
ajset-646	112	45	addition	addition	NOUN
ajset-646	112	46	.	.	PUNCT
ajset-646	113	1	a	a	DET
ajset-646	113	2	key	key	ADJ
ajset-646	113	3	factor	factor	NOUN
ajset-646	113	4	in	in	ADP
ajset-646	113	5	h2	h2	NOUN
ajset-646	113	6	oxidation	oxidation	NOUN
ajset-646	113	7	processes	process	NOUN
ajset-646	113	8	is	be	AUX
ajset-646	113	9	the	the	DET
ajset-646	113	10	formation	formation	NOUN
ajset-646	113	11	of	of	ADP
ajset-646	113	12	a	a	DET
ajset-646	113	13	metal	metal	NOUN
ajset-646	113	14	-	-	PUNCT
ajset-646	113	15	hydride	hydride	NOUN
ajset-646	113	16	intermediate	intermediate	ADJ
ajset-646	113	17	along	along	ADP
ajset-646	113	18	the	the	DET
ajset-646	113	19	mechanistic	mechanistic	ADJ
ajset-646	113	20	route	route	NOUN
ajset-646	113	21	.	.	PUNCT
ajset-646	114	1	in	in	ADP
ajset-646	114	2	the	the	DET
ajset-646	114	3	case	case	NOUN
ajset-646	114	4	where	where	SCONJ
ajset-646	114	5	intermediate	intermediate	ADJ
ajset-646	114	6	(	(	PUNCT
ajset-646	114	7	1a	1a	X
ajset-646	114	8	)	)	PUNCT
ajset-646	114	9	is	be	AUX
ajset-646	114	10	formed	form	VERB
ajset-646	114	11	upon	upon	SCONJ
ajset-646	114	12	h2	h2	NOUN
ajset-646	114	13	addition	addition	NOUN
ajset-646	114	14	,	,	PUNCT
ajset-646	114	15	an	an	DET
ajset-646	114	16	additional	additional	ADJ
ajset-646	114	17	non	non	ADJ
ajset-646	114	18	-	-	ADJ
ajset-646	114	19	electrochemical	electrochemical	ADJ
ajset-646	114	20	reaction	reaction	NOUN
ajset-646	114	21	is	be	AUX
ajset-646	114	22	needed	need	VERB
ajset-646	114	23	from	from	ADP
ajset-646	114	24	intermediate	intermediate	ADJ
ajset-646	114	25	2	2	NUM
ajset-646	114	26	3	3	NUM
ajset-646	114	27	to	to	PART
ajset-646	114	28	form	form	VERB
ajset-646	114	29	the	the	DET
ajset-646	114	30	key	key	ADJ
ajset-646	114	31	metal	metal	NOUN
ajset-646	114	32	-	-	PUNCT
ajset-646	114	33	hydride	hydride	NOUN
ajset-646	114	34	intermediate	intermediate	NOUN
ajset-646	114	35	.	.	PUNCT
ajset-646	115	1	in	in	ADP
ajset-646	115	2	this	this	DET
ajset-646	115	3	oxidative	oxidative	ADJ
ajset-646	115	4	addition	addition	NOUN
ajset-646	115	5	,	,	PUNCT
ajset-646	115	6	the	the	DET
ajset-646	115	7	proton	proton	NOUN
ajset-646	115	8	on	on	ADP
ajset-646	115	9	the	the	DET
ajset-646	115	10	nitrogen	nitrogen	NOUN
ajset-646	115	11	base	base	NOUN
ajset-646	115	12	gets	get	AUX
ajset-646	115	13	donated	donate	VERB
ajset-646	115	14	to	to	ADP
ajset-646	115	15	the	the	DET
ajset-646	115	16	ni0	ni0	PROPN
ajset-646	115	17	as	as	ADP
ajset-646	115	18	a	a	DET
ajset-646	115	19	hydride	hydride	NOUN
ajset-646	115	20	and	and	CCONJ
ajset-646	115	21	oxidizes	oxidize	VERB
ajset-646	115	22	the	the	DET
ajset-646	115	23	metal	metal	NOUN
ajset-646	115	24	to	to	ADP
ajset-646	115	25	niii	niii	NOUN
ajset-646	115	26	.	.	PUNCT
ajset-646	116	1	in	in	ADP
ajset-646	116	2	the	the	DET
ajset-646	116	3	case	case	NOUN
ajset-646	116	4	where	where	SCONJ
ajset-646	116	5	intermediate	intermediate	ADJ
ajset-646	116	6	(	(	PUNCT
ajset-646	116	7	1b	1b	NUM
ajset-646	116	8	)	)	PUNCT
ajset-646	116	9	is	be	AUX
ajset-646	116	10	formed	form	VERB
ajset-646	116	11	,	,	PUNCT
ajset-646	116	12	the	the	DET
ajset-646	116	13	oxidative	oxidative	ADJ
ajset-646	116	14	addition	addition	NOUN
ajset-646	116	15	reaction	reaction	NOUN
ajset-646	116	16	is	be	AUX
ajset-646	116	17	unnecessary	unnecessary	ADJ
ajset-646	116	18	because	because	SCONJ
ajset-646	116	19	the	the	DET
ajset-646	116	20	metalhydride	metalhydride	NOUN
ajset-646	116	21	intermediate	intermediate	NOUN
ajset-646	116	22	is	be	AUX
ajset-646	116	23	already	already	ADV
ajset-646	116	24	present	present	ADJ
ajset-646	116	25	.	.	PUNCT
ajset-646	117	1	the	the	DET
ajset-646	117	2	next	next	ADJ
ajset-646	117	3	step	step	NOUN
ajset-646	117	4	towards	towards	ADP
ajset-646	117	5	h2	h2	NOUN
ajset-646	117	6	oxidation	oxidation	NOUN
ajset-646	117	7	is	be	AUX
ajset-646	117	8	another	another	DET
ajset-646	117	9	non	non	ADJ
ajset-646	117	10	-	-	ADJ
ajset-646	117	11	electrochemical	electrochemical	ADJ
ajset-646	117	12	reaction	reaction	NOUN
ajset-646	117	13	from	from	ADP
ajset-646	117	14	intermediate	intermediate	ADJ
ajset-646	117	15	4	4	NUM
ajset-646	117	16	5	5	NUM
ajset-646	117	17	.	.	PUNCT
ajset-646	118	1	this	this	DET
ajset-646	118	2	reductive	reductive	ADJ
ajset-646	118	3	elimination	elimination	NOUN
ajset-646	118	4	is	be	AUX
ajset-646	118	5	an	an	DET
ajset-646	118	6	intramolecular	intramolecular	ADJ
ajset-646	118	7	transfer	transfer	NOUN
ajset-646	118	8	where	where	SCONJ
ajset-646	118	9	the	the	DET
ajset-646	118	10	hydride	hydride	NOUN
ajset-646	118	11	donates	donate	VERB
ajset-646	118	12	a	a	DET
ajset-646	118	13	proton	proton	NOUN
ajset-646	118	14	the	the	DET
ajset-646	118	15	nitrogen	nitrogen	NOUN
ajset-646	118	16	base	base	NOUN
ajset-646	118	17	and	and	CCONJ
ajset-646	118	18	an	an	DET
ajset-646	118	19	electron	electron	NOUN
ajset-646	118	20	to	to	PART
ajset-646	118	21	reduce	reduce	VERB
ajset-646	118	22	the	the	DET
ajset-646	118	23	metal	metal	NOUN
ajset-646	118	24	from	from	ADP
ajset-646	118	25	niiii	niiii	PROPN
ajset-646	118	26	to	to	ADP
ajset-646	118	27	nii	nii	PROPN
ajset-646	118	28	.	.	PUNCT
ajset-646	119	1	lastly	lastly	ADV
ajset-646	119	2	,	,	PUNCT
ajset-646	119	3	the	the	DET
ajset-646	119	4	final	final	ADJ
ajset-646	119	5	step	step	NOUN
ajset-646	119	6	to	to	PART
ajset-646	119	7	complete	complete	VERB
ajset-646	119	8	h2	h2	NOUN
ajset-646	119	9	oxidation	oxidation	NOUN
ajset-646	119	10	is	be	AUX
ajset-646	119	11	the	the	DET
ajset-646	119	12	second	second	ADJ
ajset-646	119	13	of	of	ADP
ajset-646	119	14	the	the	DET
ajset-646	119	15	two	two	NUM
ajset-646	119	16	electrochemical	electrochemical	ADJ
ajset-646	119	17	reactions	reaction	NOUN
ajset-646	119	18	in	in	ADP
ajset-646	119	19	the	the	DET
ajset-646	119	20	process	process	NOUN
ajset-646	119	21	.	.	PUNCT
ajset-646	120	1	fig	fig	NOUN
ajset-646	120	2	.	.	PUNCT
ajset-646	121	1	3	3	X
ajset-646	121	2	.	.	X
ajset-646	121	3	summary	summary	NOUN
ajset-646	121	4	of	of	ADP
ajset-646	121	5	mechanistic	mechanistic	ADJ
ajset-646	121	6	routes	route	NOUN
ajset-646	121	7	leading	lead	VERB
ajset-646	121	8	to	to	ADP
ajset-646	121	9	h2	h2	NOUN
ajset-646	121	10	oxidation	oxidation	NOUN
ajset-646	121	11	for	for	ADP
ajset-646	121	12	nickel	nickel	NOUN
ajset-646	121	13	diphosphine	diphosphine	NOUN
ajset-646	121	14	model	model	NOUN
ajset-646	121	15	catalysts	catalyst	NOUN
ajset-646	121	16	.	.	PUNCT
ajset-646	122	1	intermediates	intermediate	NOUN
ajset-646	122	2	along	along	ADP
ajset-646	122	3	this	this	DET
ajset-646	122	4	direction	direction	NOUN
ajset-646	122	5	are	be	AUX
ajset-646	122	6	classified	classify	VERB
ajset-646	122	7	as	as	ADP
ajset-646	122	8	reaction	reaction	NOUN
ajset-646	122	9	steps	step	NOUN
ajset-646	122	10	producing	produce	VERB
ajset-646	122	11	intermediates	intermediate	NOUN
ajset-646	122	12	in	in	ADP
ajset-646	122	13	the	the	DET
ajset-646	122	14	order	order	NOUN
ajset-646	122	15	,	,	PUNCT
ajset-646	122	16	0	0	NUM
ajset-646	122	17	1	1	NUM
ajset-646	122	18	2	2	NUM
ajset-646	122	19	3	3	NUM
ajset-646	122	20	4	4	NUM
ajset-646	122	21	5	5	NUM
ajset-646	122	22	6	6	NUM
ajset-646	122	23	0	0	NUM
ajset-646	122	24	.	.	PUNCT
ajset-646	123	1	the	the	DET
ajset-646	123	2	h2	h2	PROPN
ajset-646	123	3	production	production	NOUN
ajset-646	123	4	direction	direction	NOUN
ajset-646	123	5	for	for	ADP
ajset-646	123	6	the	the	DET
ajset-646	123	7	model	model	NOUN
ajset-646	123	8	is	be	AUX
ajset-646	123	9	exactly	exactly	ADV
ajset-646	123	10	the	the	DET
ajset-646	123	11	reverse	reverse	ADJ
ajset-646	123	12	process	process	NOUN
ajset-646	123	13	where	where	SCONJ
ajset-646	123	14	the	the	DET
ajset-646	123	15	intermediates	intermediate	NOUN
ajset-646	123	16	in	in	ADP
ajset-646	123	17	the	the	DET
ajset-646	123	18	reaction	reaction	NOUN
ajset-646	123	19	steps	step	NOUN
ajset-646	123	20	are	be	AUX
ajset-646	123	21	ordered	order	VERB
ajset-646	123	22	by	by	ADP
ajset-646	123	23	0	0	NUM
ajset-646	123	24	6	6	NUM
ajset-646	123	25	5	5	NUM
ajset-646	123	26	4	4	NUM
ajset-646	123	27	3	3	NUM
ajset-646	123	28	2	2	NUM
ajset-646	123	29	1	1	NUM
ajset-646	123	30	0	0	NUM
ajset-646	123	31	.	.	PUNCT
ajset-646	124	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	124	2	academic	academic	ADJ
ajset-646	124	3	journal	journal	NOUN
ajset-646	124	4	of	of	ADP
ajset-646	124	5	science	science	NOUN
ajset-646	124	6	,	,	PUNCT
ajset-646	124	7	engineering	engineering	NOUN
ajset-646	124	8	and	and	CCONJ
ajset-646	124	9	technology	technology	NOUN
ajset-646	124	10	vol.6	vol.6	PROPN
ajset-646	124	11	,	,	PUNCT
ajset-646	124	12	issue	issue	NOUN
ajset-646	124	13	5	5	NUM
ajset-646	124	14	;	;	PUNCT
ajset-646	124	15	september	september	PROPN
ajset-646	124	16	october	october	PROPN
ajset-646	124	17	2021	2021	NUM
ajset-646	124	18	;	;	PUNCT
ajset-646	124	19	1252	1252	NUM
ajset-646	124	20	columbia	columbia	PROPN
ajset-646	124	21	rd	rd	PROPN
ajset-646	124	22	nw	nw	PROPN
ajset-646	124	23	,	,	PUNCT
ajset-646	124	24	washington	washington	PROPN
ajset-646	124	25	dc	dc	PROPN
ajset-646	124	26	,	,	PUNCT
ajset-646	124	27	united	united	PROPN
ajset-646	124	28	states	states	PROPN
ajset-646	124	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	124	30	;	;	PUNCT
ajset-646	124	31	mail	mail	NOUN
ajset-646	124	32	:	:	PUNCT
ajset-646	124	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	125	1	7	7	NUM
ajset-646	126	1	|	|	ADV
ajset-646	126	2	a	a	DET
ajset-646	126	3	c	c	NOUN
ajset-646	126	4	a	a	PRON
ajset-646	126	5	d	d	X
ajset-646	126	6	e	e	NOUN
ajset-646	126	7	m	m	NOUN
ajset-646	126	8	i	i	NOUN
ajset-646	126	9	c	c	NOUN
ajset-646	126	10	j	j	NOUN
ajset-646	126	11	o	o	X
ajset-646	126	12	u	u	NOUN
ajset-646	126	13	r	r	NOUN
ajset-646	126	14	n	n	NOUN
ajset-646	126	15	a	a	DET
ajset-646	126	16	l	l	NOUN
ajset-646	127	1	o	o	X
ajset-646	127	2	f	f	X
ajset-646	127	3	s	s	X
ajset-646	127	4	c	c	NOUN
ajset-646	128	1	i	i	NOUN
ajset-646	128	2	e	e	PROPN
ajset-646	128	3	n	n	PROPN
ajset-646	128	4	c	c	NOUN
ajset-646	128	5	e	e	X
ajset-646	128	6	,	,	PUNCT
ajset-646	128	7	e	e	PROPN
ajset-646	128	8	n	n	PRON
ajset-646	128	9	g	g	NOUN
ajset-646	128	10	i	i	PRON
ajset-646	128	11	n	n	VERB
ajset-646	128	12	e	e	NOUN
ajset-646	128	13	e	e	NOUN
ajset-646	128	14	r	r	VERB
ajset-646	128	15	i	i	PRON
ajset-646	128	16	n	n	CCONJ
ajset-646	128	17	g	g	PROPN
ajset-646	128	18	a	a	DET
ajset-646	128	19	n	n	NOUN
ajset-646	128	20	d	d	NOUN
ajset-646	128	21	t	t	NOUN
ajset-646	128	22	e	e	X
ajset-646	128	23	c	c	NOUN
ajset-646	128	24	h	h	NOUN
ajset-646	128	25	n	n	ADV
ajset-646	128	26	o	o	NOUN
ajset-646	128	27	l	l	NOUN
ajset-646	129	1	o	o	X
ajset-646	129	2	g	g	NOUN
ajset-646	129	3	y	y	PROPN
ajset-646	129	4	|	|	ADV
ajset-646	129	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	129	6	again	again	ADV
ajset-646	129	7	there	there	PRON
ajset-646	129	8	will	will	AUX
ajset-646	129	9	be	be	AUX
ajset-646	129	10	a	a	DET
ajset-646	129	11	dependence	dependence	NOUN
ajset-646	129	12	on	on	ADP
ajset-646	129	13	the	the	DET
ajset-646	129	14	applied	applied	ADJ
ajset-646	129	15	potential	potential	NOUN
ajset-646	129	16	and	and	CCONJ
ajset-646	129	17	ph	ph	NOUN
ajset-646	129	18	in	in	ADP
ajset-646	129	19	determining	determine	VERB
ajset-646	129	20	if	if	SCONJ
ajset-646	129	21	the	the	DET
ajset-646	129	22	reactions	reaction	NOUN
ajset-646	129	23	will	will	AUX
ajset-646	129	24	be	be	AUX
ajset-646	129	25	sequential	sequential	ADJ
ajset-646	129	26	or	or	CCONJ
ajset-646	129	27	pcet	pcet	ADJ
ajset-646	129	28	.	.	PUNCT
ajset-646	130	1	if	if	SCONJ
ajset-646	130	2	sequential	sequential	ADJ
ajset-646	130	3	then	then	ADV
ajset-646	130	4	intermediates	intermediate	VERB
ajset-646	130	5	(	(	PUNCT
ajset-646	130	6	6a	6a	NOUN
ajset-646	130	7	)	)	PUNCT
ajset-646	130	8	or	or	CCONJ
ajset-646	130	9	(	(	PUNCT
ajset-646	130	10	6b	6b	NOUN
ajset-646	130	11	)	)	PUNCT
ajset-646	130	12	can	can	AUX
ajset-646	130	13	be	be	AUX
ajset-646	130	14	isolated	isolate	VERB
ajset-646	130	15	and	and	CCONJ
ajset-646	130	16	characterized	characterized	ADJ
ajset-646	130	17	.	.	PUNCT
ajset-646	131	1	catalysis	catalysis	NOUN
ajset-646	131	2	in	in	ADP
ajset-646	131	3	the	the	DET
ajset-646	131	4	h2	h2	NOUN
ajset-646	131	5	production	production	NOUN
ajset-646	131	6	direction	direction	NOUN
ajset-646	131	7	involves	involve	VERB
ajset-646	131	8	the	the	DET
ajset-646	131	9	2h+	2h+	NUM
ajset-646	131	10	+	+	CCONJ
ajset-646	131	11	2e	2e	PROPN
ajset-646	131	12	h2	h2	NOUN
ajset-646	131	13	reaction	reaction	NOUN
ajset-646	131	14	which	which	PRON
ajset-646	131	15	allows	allow	VERB
ajset-646	131	16	us	we	PRON
ajset-646	131	17	to	to	PART
ajset-646	131	18	consider	consider	VERB
ajset-646	131	19	the	the	DET
ajset-646	131	20	possible	possible	ADJ
ajset-646	131	21	mechanistic	mechanistic	ADJ
ajset-646	131	22	routes	route	NOUN
ajset-646	131	23	as	as	SCONJ
ajset-646	131	24	the	the	DET
ajset-646	131	25	reverse	reverse	NOUN
ajset-646	131	26	of	of	ADP
ajset-646	131	27	the	the	DET
ajset-646	131	28	h2	h2	PROPN
ajset-646	131	29	oxidation	oxidation	NOUN
ajset-646	131	30	direction	direction	NOUN
ajset-646	131	31	previously	previously	ADV
ajset-646	131	32	described	describe	VERB
ajset-646	131	33	.	.	PUNCT
ajset-646	132	1	for	for	ADP
ajset-646	132	2	the	the	DET
ajset-646	132	3	non	non	ADJ
ajset-646	132	4	-	-	ADJ
ajset-646	132	5	electrochemical	electrochemical	ADJ
ajset-646	132	6	reactions	reaction	NOUN
ajset-646	132	7	,	,	PUNCT
ajset-646	132	8	reductive	reductive	ADJ
ajset-646	132	9	elimination	elimination	NOUN
ajset-646	132	10	is	be	AUX
ajset-646	132	11	the	the	DET
ajset-646	132	12	reverse	reverse	NOUN
ajset-646	132	13	of	of	ADP
ajset-646	132	14	the	the	DET
ajset-646	132	15	oxidative	oxidative	ADJ
ajset-646	132	16	addition	addition	NOUN
ajset-646	132	17	reaction	reaction	NOUN
ajset-646	132	18	and	and	CCONJ
ajset-646	132	19	h2	h2	NOUN
ajset-646	132	20	release	release	NOUN
ajset-646	132	21	is	be	AUX
ajset-646	132	22	the	the	DET
ajset-646	132	23	reverse	reverse	NOUN
ajset-646	132	24	of	of	ADP
ajset-646	132	25	the	the	DET
ajset-646	132	26	h2	h2	NOUN
ajset-646	132	27	addition	addition	NOUN
ajset-646	132	28	reaction	reaction	NOUN
ajset-646	132	29	.	.	PUNCT
ajset-646	133	1	these	these	DET
ajset-646	133	2	non	non	ADJ
ajset-646	133	3	-	-	ADJ
ajset-646	133	4	electrochemical	electrochemical	ADJ
ajset-646	133	5	processes	process	NOUN
ajset-646	133	6	are	be	AUX
ajset-646	133	7	similarly	similarly	ADV
ajset-646	133	8	governed	govern	VERB
ajset-646	133	9	by	by	ADP
ajset-646	133	10	the	the	DET
ajset-646	133	11	kinetics	kinetic	NOUN
ajset-646	133	12	of	of	ADP
ajset-646	133	13	those	those	DET
ajset-646	133	14	reactions	reaction	NOUN
ajset-646	133	15	.	.	PUNCT
ajset-646	134	1	for	for	ADP
ajset-646	134	2	the	the	DET
ajset-646	134	3	electrochemical	electrochemical	ADJ
ajset-646	134	4	reactions	reaction	NOUN
ajset-646	134	5	,	,	PUNCT
ajset-646	134	6	sequential	sequential	ADJ
ajset-646	134	7	or	or	CCONJ
ajset-646	134	8	pcet	pcet	NOUN
ajset-646	134	9	processes	process	NOUN
ajset-646	134	10	are	be	AUX
ajset-646	134	11	governed	govern	VERB
ajset-646	134	12	by	by	ADP
ajset-646	134	13	the	the	DET
ajset-646	134	14	applied	applied	ADJ
ajset-646	134	15	potential	potential	NOUN
ajset-646	134	16	and	and	CCONJ
ajset-646	134	17	ph	ph	NOUN
ajset-646	134	18	of	of	ADP
ajset-646	134	19	the	the	DET
ajset-646	134	20	reaction	reaction	NOUN
ajset-646	134	21	conditions	condition	NOUN
ajset-646	134	22	.	.	PUNCT
ajset-646	135	1	therefore	therefore	ADV
ajset-646	135	2	,	,	PUNCT
ajset-646	135	3	for	for	ADP
ajset-646	135	4	ease	ease	NOUN
ajset-646	135	5	in	in	ADP
ajset-646	135	6	describing	describe	VERB
ajset-646	135	7	the	the	DET
ajset-646	135	8	intermediates	intermediate	NOUN
ajset-646	135	9	in	in	ADP
ajset-646	135	10	these	these	DET
ajset-646	135	11	mechanistic	mechanistic	ADJ
ajset-646	135	12	routes	route	NOUN
ajset-646	135	13	,	,	PUNCT
ajset-646	135	14	we	we	PRON
ajset-646	135	15	subdivide	subdivide	VERB
ajset-646	135	16	them	they	PRON
ajset-646	135	17	into	into	ADP
ajset-646	135	18	two	two	NUM
ajset-646	135	19	categories	category	NOUN
ajset-646	135	20	,	,	PUNCT
ajset-646	135	21	those	those	PRON
ajset-646	135	22	encountered	encounter	VERB
ajset-646	135	23	in	in	ADP
ajset-646	135	24	the	the	DET
ajset-646	135	25	non	non	ADJ
ajset-646	135	26	-	-	ADJ
ajset-646	135	27	electrochemical	electrochemical	ADJ
ajset-646	135	28	reactions	reaction	NOUN
ajset-646	135	29	and	and	CCONJ
ajset-646	135	30	those	those	PRON
ajset-646	135	31	encountered	encounter	VERB
ajset-646	135	32	in	in	ADP
ajset-646	135	33	the	the	DET
ajset-646	135	34	electrochemical	electrochemical	ADJ
ajset-646	135	35	reactions	reaction	NOUN
ajset-646	135	36	.	.	PUNCT
ajset-646	136	1	one	one	NUM
ajset-646	136	2	reason	reason	NOUN
ajset-646	136	3	is	be	AUX
ajset-646	136	4	that	that	SCONJ
ajset-646	136	5	the	the	DET
ajset-646	136	6	two	two	NUM
ajset-646	136	7	categories	category	NOUN
ajset-646	136	8	of	of	ADP
ajset-646	136	9	reactions	reaction	NOUN
ajset-646	136	10	can	can	AUX
ajset-646	136	11	be	be	AUX
ajset-646	136	12	controlled	control	VERB
ajset-646	136	13	differently	differently	ADV
ajset-646	136	14	.	.	PUNCT
ajset-646	137	1	the	the	DET
ajset-646	137	2	behavior	behavior	NOUN
ajset-646	137	3	of	of	ADP
ajset-646	137	4	species	specie	NOUN
ajset-646	137	5	involved	involve	VERB
ajset-646	137	6	in	in	ADP
ajset-646	137	7	the	the	DET
ajset-646	137	8	non	non	ADJ
ajset-646	137	9	-	-	ADJ
ajset-646	137	10	electrochemical	electrochemical	ADJ
ajset-646	137	11	reactions	reaction	NOUN
ajset-646	137	12	can	can	AUX
ajset-646	137	13	be	be	AUX
ajset-646	137	14	controlled	control	VERB
ajset-646	137	15	by	by	ADP
ajset-646	137	16	knowing	know	VERB
ajset-646	137	17	the	the	DET
ajset-646	137	18	structure	structure	NOUN
ajset-646	137	19	and	and	CCONJ
ajset-646	137	20	energy	energy	NOUN
ajset-646	137	21	of	of	ADP
ajset-646	137	22	the	the	DET
ajset-646	137	23	transition	transition	NOUN
ajset-646	137	24	states	state	NOUN
ajset-646	137	25	and	and	CCONJ
ajset-646	137	26	by	by	ADP
ajset-646	137	27	tuning	tune	VERB
ajset-646	137	28	the	the	DET
ajset-646	137	29	ligands	ligand	NOUN
ajset-646	137	30	such	such	ADJ
ajset-646	137	31	that	that	SCONJ
ajset-646	137	32	the	the	DET
ajset-646	137	33	intermediates	intermediate	NOUN
ajset-646	137	34	are	be	AUX
ajset-646	137	35	close	close	ADJ
ajset-646	137	36	in	in	ADP
ajset-646	137	37	energy	energy	NOUN
ajset-646	137	38	(	(	PUNCT
ajset-646	137	39	i.e.	i.e.	X
ajset-646	137	40	∆g	∆g	PROPN
ajset-646	137	41	=	=	SYM
ajset-646	137	42	0	0	NUM
ajset-646	137	43	)	)	PUNCT
ajset-646	137	44	.	.	PUNCT
ajset-646	138	1	the	the	DET
ajset-646	138	2	species	specie	NOUN
ajset-646	138	3	involved	involve	VERB
ajset-646	138	4	in	in	ADP
ajset-646	138	5	the	the	DET
ajset-646	138	6	electrochemical	electrochemical	ADJ
ajset-646	138	7	reactions	reaction	NOUN
ajset-646	138	8	can	can	AUX
ajset-646	138	9	be	be	AUX
ajset-646	138	10	controlled	control	VERB
ajset-646	138	11	by	by	ADP
ajset-646	138	12	tuning	tune	VERB
ajset-646	138	13	the	the	DET
ajset-646	138	14	ligands	ligand	NOUN
ajset-646	138	15	to	to	PART
ajset-646	138	16	control	control	VERB
ajset-646	138	17	the	the	DET
ajset-646	138	18	ph	ph	NOUN
ajset-646	138	19	in	in	ADP
ajset-646	138	20	which	which	PRON
ajset-646	138	21	they	they	PRON
ajset-646	138	22	operate	operate	VERB
ajset-646	138	23	and	and	CCONJ
ajset-646	138	24	tuning	tune	VERB
ajset-646	138	25	the	the	DET
ajset-646	138	26	metal	metal	NOUN
ajset-646	138	27	to	to	PART
ajset-646	138	28	control	control	VERB
ajset-646	138	29	the	the	DET
ajset-646	138	30	oxidation	oxidation	NOUN
ajset-646	138	31	states	state	NOUN
ajset-646	138	32	reached	reach	VERB
ajset-646	138	33	when	when	SCONJ
ajset-646	138	34	a	a	DET
ajset-646	138	35	potential	potential	NOUN
ajset-646	138	36	is	be	AUX
ajset-646	138	37	applied	apply	VERB
ajset-646	138	38	.	.	PUNCT
ajset-646	139	1	we	we	PRON
ajset-646	139	2	discuss	discuss	VERB
ajset-646	139	3	these	these	DET
ajset-646	139	4	two	two	NUM
ajset-646	139	5	categories	category	NOUN
ajset-646	139	6	next	next	ADV
ajset-646	139	7	and	and	CCONJ
ajset-646	139	8	discuss	discuss	VERB
ajset-646	139	9	the	the	DET
ajset-646	139	10	calculated	calculate	VERB
ajset-646	139	11	results	result	NOUN
ajset-646	139	12	of	of	ADP
ajset-646	139	13	[	[	X
ajset-646	139	14	ni(pph	ni(pph	PROPN
ajset-646	139	15	2n	2n	NUM
ajset-646	139	16	ph	ph	PROPN
ajset-646	139	17	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	139	18	)	)	PUNCT
ajset-646	139	19	]	]	PUNCT
ajset-646	139	20	and	and	CCONJ
ajset-646	139	21	[	[	X
ajset-646	139	22	ni(pcy	ni(pcy	ADJ
ajset-646	139	23	2n	2n	ADJ
ajset-646	139	24	bz	bz	PROPN
ajset-646	139	25	2)2	2)2	PROPN
ajset-646	139	26	]	]	PUNCT
ajset-646	139	27	model	model	NOUN
ajset-646	139	28	compounds	compound	NOUN
ajset-646	139	29	.	.	PUNCT
ajset-646	140	1	b.	b.	PROPN
ajset-646	141	1	non	non	ADJ
ajset-646	141	2	-	-	ADJ
ajset-646	141	3	electrochemical	electrochemical	ADJ
ajset-646	141	4	intermediates	intermediate	NOUN
ajset-646	141	5	non	non	ADJ
ajset-646	141	6	-	-	ADJ
ajset-646	141	7	electrochemical	electrochemical	ADJ
ajset-646	141	8	intermediates	intermediate	NOUN
ajset-646	141	9	in	in	ADP
ajset-646	141	10	h2	h2	NOUN
ajset-646	141	11	oxidation	oxidation	NOUN
ajset-646	141	12	/	/	SYM
ajset-646	141	13	production	production	NOUN
ajset-646	141	14	reactions	reaction	NOUN
ajset-646	141	15	are	be	AUX
ajset-646	141	16	dominated	dominate	VERB
ajset-646	141	17	by	by	ADP
ajset-646	141	18	kinetic	kinetic	ADJ
ajset-646	141	19	processes	process	NOUN
ajset-646	141	20	so	so	SCONJ
ajset-646	141	21	it	it	PRON
ajset-646	141	22	becomes	become	VERB
ajset-646	141	23	important	important	ADJ
ajset-646	141	24	to	to	PART
ajset-646	141	25	describe	describe	VERB
ajset-646	141	26	the	the	DET
ajset-646	141	27	activation	activation	NOUN
ajset-646	141	28	energy	energy	NOUN
ajset-646	141	29	barrier	barrier	NOUN
ajset-646	141	30	in	in	ADP
ajset-646	141	31	these	these	DET
ajset-646	141	32	reactions	reaction	NOUN
ajset-646	141	33	which	which	PRON
ajset-646	141	34	can	can	AUX
ajset-646	141	35	ultimately	ultimately	ADV
ajset-646	141	36	be	be	AUX
ajset-646	141	37	compared	compare	VERB
ajset-646	141	38	to	to	ADP
ajset-646	141	39	the	the	DET
ajset-646	141	40	rates	rate	NOUN
ajset-646	141	41	achieved	achieve	VERB
ajset-646	141	42	in	in	ADP
ajset-646	141	43	the	the	DET
ajset-646	141	44	experiments	experiment	NOUN
ajset-646	141	45	.	.	PUNCT
ajset-646	142	1	the	the	DET
ajset-646	142	2	two	two	NUM
ajset-646	142	3	non	non	ADJ
ajset-646	142	4	-	-	ADJ
ajset-646	142	5	electrochemical	electrochemical	ADJ
ajset-646	142	6	intermediates	intermediate	NOUN
ajset-646	142	7	for	for	ADP
ajset-646	142	8	which	which	PRON
ajset-646	142	9	we	we	PRON
ajset-646	142	10	attempt	attempt	VERB
ajset-646	142	11	to	to	PART
ajset-646	142	12	determine	determine	VERB
ajset-646	142	13	the	the	DET
ajset-646	142	14	transition	transition	NOUN
ajset-646	142	15	states	state	NOUN
ajset-646	142	16	occur	occur	VERB
ajset-646	142	17	in	in	ADP
ajset-646	142	18	fig	fig	NOUN
ajset-646	142	19	.	.	PUNCT
ajset-646	142	20	3	3	NUM
ajset-646	142	21	between	between	ADP
ajset-646	142	22	intermediates	intermediate	NOUN
ajset-646	142	23	0	0	NUM
ajset-646	142	24	1	1	NUM
ajset-646	142	25	,	,	PUNCT
ajset-646	142	26	which	which	PRON
ajset-646	142	27	we	we	PRON
ajset-646	142	28	define	define	VERB
ajset-646	142	29	as	as	ADP
ajset-646	142	30	the	the	DET
ajset-646	142	31	h2	h2	NOUN
ajset-646	142	32	adduct	adduct	NOUN
ajset-646	142	33	,	,	PUNCT
ajset-646	142	34	and	and	CCONJ
ajset-646	142	35	intermediates	intermediate	VERB
ajset-646	142	36	4	4	NUM
ajset-646	142	37	5	5	NUM
ajset-646	142	38	which	which	PRON
ajset-646	142	39	we	we	PRON
ajset-646	142	40	define	define	VERB
ajset-646	142	41	as	as	ADP
ajset-646	142	42	a	a	DET
ajset-646	142	43	thermal	thermal	ADJ
ajset-646	142	44	reaction	reaction	NOUN
ajset-646	142	45	common	common	ADJ
ajset-646	142	46	to	to	ADP
ajset-646	142	47	all	all	DET
ajset-646	142	48	mechanistic	mechanistic	ADJ
ajset-646	142	49	routes	route	NOUN
ajset-646	142	50	shown	show	VERB
ajset-646	142	51	in	in	ADP
ajset-646	142	52	fig	fig	NOUN
ajset-646	142	53	.	.	PUNCT
ajset-646	143	1	3	3	NUM
ajset-646	143	2	.	.	NOUN
ajset-646	143	3	1	1	NUM
ajset-646	143	4	.	.	X
ajset-646	143	5	h2	h2	NOUN
ajset-646	143	6	adduct	adduct	VERB
ajset-646	143	7	the	the	DET
ajset-646	143	8	energy	energy	NOUN
ajset-646	143	9	of	of	ADP
ajset-646	143	10	the	the	DET
ajset-646	143	11	intermediate	intermediate	ADJ
ajset-646	143	12	formed	form	VERB
ajset-646	143	13	upon	upon	SCONJ
ajset-646	143	14	h2	h2	NOUN
ajset-646	143	15	addition	addition	NOUN
ajset-646	143	16	is	be	AUX
ajset-646	143	17	one	one	NUM
ajset-646	143	18	marker	marker	NOUN
ajset-646	143	19	for	for	ADP
ajset-646	143	20	the	the	DET
ajset-646	143	21	catalytic	catalytic	ADJ
ajset-646	143	22	direction	direction	NOUN
ajset-646	143	23	that	that	SCONJ
ajset-646	143	24	the	the	DET
ajset-646	143	25	molecular	molecular	ADJ
ajset-646	143	26	catalyst	catalyst	NOUN
ajset-646	143	27	favors	favor	NOUN
ajset-646	143	28	.	.	PUNCT
ajset-646	144	1	if	if	SCONJ
ajset-646	144	2	the	the	DET
ajset-646	144	3	energy	energy	NOUN
ajset-646	144	4	of	of	ADP
ajset-646	144	5	the	the	DET
ajset-646	144	6	cleaved	cleaved	ADJ
ajset-646	144	7	intermediate	intermediate	NOUN
ajset-646	144	8	is	be	AUX
ajset-646	144	9	favored	favor	VERB
ajset-646	144	10	(	(	PUNCT
ajset-646	144	11	i.e.	i.e.	X
ajset-646	144	12	-∆g	-∆g	NOUN
ajset-646	144	13	)	)	PUNCT
ajset-646	144	14	with	with	ADP
ajset-646	144	15	respect	respect	NOUN
ajset-646	144	16	to	to	ADP
ajset-646	144	17	the	the	DET
ajset-646	144	18	h2	h2	NOUN
ajset-646	144	19	adduct	adduct	NOUN
ajset-646	144	20	,	,	PUNCT
ajset-646	144	21	the	the	DET
ajset-646	144	22	catalyst	catalyst	NOUN
ajset-646	144	23	is	be	AUX
ajset-646	144	24	likely	likely	ADJ
ajset-646	144	25	to	to	PART
ajset-646	144	26	function	function	VERB
ajset-646	144	27	as	as	ADP
ajset-646	144	28	an	an	DET
ajset-646	144	29	h2	h2	NOUN
ajset-646	144	30	oxidation	oxidation	NOUN
ajset-646	144	31	catalyst	catalyst	NOUN
ajset-646	144	32	.	.	PUNCT
ajset-646	145	1	otherwise	otherwise	ADV
ajset-646	145	2	,	,	PUNCT
ajset-646	145	3	the	the	DET
ajset-646	145	4	catalyst	catalyst	NOUN
ajset-646	145	5	prefers	prefer	VERB
ajset-646	145	6	scavenging	scavenge	VERB
ajset-646	145	7	available	available	ADJ
ajset-646	145	8	electrons	electron	NOUN
ajset-646	145	9	and	and	CCONJ
ajset-646	145	10	protons	proton	NOUN
ajset-646	145	11	from	from	ADP
ajset-646	145	12	the	the	DET
ajset-646	145	13	reservoir	reservoir	NOUN
ajset-646	145	14	,	,	PUNCT
ajset-646	145	15	combining	combine	VERB
ajset-646	145	16	them	they	PRON
ajset-646	145	17	to	to	PART
ajset-646	145	18	produce	produce	VERB
ajset-646	145	19	h2	h2	NOUN
ajset-646	145	20	.	.	PUNCT
ajset-646	146	1	as	as	ADP
ajset-646	146	2	such	such	ADJ
ajset-646	146	3	we	we	PRON
ajset-646	146	4	explored	explore	VERB
ajset-646	146	5	several	several	ADJ
ajset-646	146	6	possible	possible	ADJ
ajset-646	146	7	conformers	conformer	NOUN
ajset-646	146	8	of	of	ADP
ajset-646	146	9	the	the	DET
ajset-646	146	10	h2	h2	NOUN
ajset-646	146	11	adduct	adduct	NOUN
ajset-646	146	12	and	and	CCONJ
ajset-646	146	13	quantified	quantify	VERB
ajset-646	146	14	their	their	PRON
ajset-646	146	15	energies	energy	NOUN
ajset-646	146	16	with	with	ADP
ajset-646	146	17	respect	respect	NOUN
ajset-646	146	18	to	to	ADP
ajset-646	146	19	the	the	DET
ajset-646	146	20	type	type	NOUN
ajset-646	146	21	-	-	PUNCT
ajset-646	146	22	i	i	NOUN
ajset-646	146	23	or	or	CCONJ
ajset-646	146	24	type	type	NOUN
ajset-646	146	25	-	-	PUNCT
ajset-646	146	26	ii	ii	NOUN
ajset-646	146	27	h2	h2	NOUN
ajset-646	146	28	bond	bond	NOUN
ajset-646	146	29	cleaved	cleaved	ADJ
ajset-646	146	30	intermediates	intermediate	NOUN
ajset-646	146	31	.	.	PUNCT
ajset-646	147	1	this	this	PRON
ajset-646	147	2	will	will	AUX
ajset-646	147	3	be	be	AUX
ajset-646	147	4	a	a	DET
ajset-646	147	5	useful	useful	ADJ
ajset-646	147	6	starting	starting	NOUN
ajset-646	147	7	structure	structure	NOUN
ajset-646	147	8	to	to	PART
ajset-646	147	9	use	use	VERB
ajset-646	147	10	for	for	ADP
ajset-646	147	11	transition	transition	NOUN
ajset-646	147	12	state	state	NOUN
ajset-646	147	13	searches	search	NOUN
ajset-646	147	14	.	.	PUNCT
ajset-646	148	1	beginning	begin	VERB
ajset-646	148	2	from	from	ADP
ajset-646	148	3	different	different	ADJ
ajset-646	148	4	conformers	conformer	NOUN
ajset-646	148	5	of	of	ADP
ajset-646	148	6	the	the	DET
ajset-646	148	7	h2	h2	NOUN
ajset-646	148	8	adduct	adduct	NOUN
ajset-646	148	9	to	to	ADP
ajset-646	148	10	[	[	X
ajset-646	148	11	ni(pcy	ni(pcy	ADP
ajset-646	148	12	2n	2n	ADJ
ajset-646	148	13	bz	bz	PROPN
ajset-646	148	14	2)2	2)2	NUM
ajset-646	148	15	]	]	PUNCT
ajset-646	148	16	,	,	PUNCT
ajset-646	148	17	three	three	NUM
ajset-646	148	18	stable	stable	ADJ
ajset-646	148	19	intermediates	intermediate	NOUN
ajset-646	148	20	were	be	AUX
ajset-646	148	21	located	locate	VERB
ajset-646	148	22	as	as	SCONJ
ajset-646	148	23	shown	show	VERB
ajset-646	148	24	in	in	ADP
ajset-646	148	25	fig	fig	NOUN
ajset-646	148	26	.	.	PUNCT
ajset-646	149	1	4(i	4(i	NUM
ajset-646	149	2	)	)	PUNCT
ajset-646	150	1	,	,	PUNCT
ajset-646	150	2	4(ii	4(ii	NUM
ajset-646	150	3	)	)	PUNCT
ajset-646	150	4	and	and	CCONJ
ajset-646	150	5	4(iii	4(iii	NUM
ajset-646	150	6	)	)	PUNCT
ajset-646	150	7	.	.	PUNCT
ajset-646	151	1	cy	cy	PROPN
ajset-646	151	2	bz	bz	PROPN
ajset-646	151	3	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	151	4	academic	academic	ADJ
ajset-646	151	5	journal	journal	NOUN
ajset-646	151	6	of	of	ADP
ajset-646	151	7	science	science	NOUN
ajset-646	151	8	,	,	PUNCT
ajset-646	151	9	engineering	engineering	NOUN
ajset-646	151	10	and	and	CCONJ
ajset-646	151	11	technology	technology	NOUN
ajset-646	151	12	vol.6	vol.6	PROPN
ajset-646	151	13	,	,	PUNCT
ajset-646	151	14	issue	issue	NOUN
ajset-646	151	15	5	5	NUM
ajset-646	151	16	;	;	PUNCT
ajset-646	151	17	september	september	PROPN
ajset-646	151	18	october	october	PROPN
ajset-646	151	19	2021	2021	NUM
ajset-646	151	20	;	;	PUNCT
ajset-646	151	21	1252	1252	NUM
ajset-646	151	22	columbia	columbia	PROPN
ajset-646	151	23	rd	rd	PROPN
ajset-646	151	24	nw	nw	PROPN
ajset-646	151	25	,	,	PUNCT
ajset-646	151	26	washington	washington	PROPN
ajset-646	151	27	dc	dc	PROPN
ajset-646	151	28	,	,	PUNCT
ajset-646	151	29	united	united	PROPN
ajset-646	151	30	states	states	PROPN
ajset-646	151	31	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	151	32	;	;	PUNCT
ajset-646	151	33	mail	mail	NOUN
ajset-646	151	34	:	:	PUNCT
ajset-646	151	35	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	152	1	8	8	NUM
ajset-646	153	1	|	|	ADV
ajset-646	153	2	a	a	DET
ajset-646	153	3	c	c	NOUN
ajset-646	153	4	a	a	PRON
ajset-646	153	5	d	d	X
ajset-646	153	6	e	e	NOUN
ajset-646	153	7	m	m	NOUN
ajset-646	153	8	i	i	NOUN
ajset-646	153	9	c	c	NOUN
ajset-646	153	10	j	j	NOUN
ajset-646	153	11	o	o	X
ajset-646	153	12	u	u	NOUN
ajset-646	153	13	r	r	NOUN
ajset-646	153	14	n	n	NOUN
ajset-646	153	15	a	a	DET
ajset-646	153	16	l	l	NOUN
ajset-646	154	1	o	o	X
ajset-646	154	2	f	f	X
ajset-646	154	3	s	s	X
ajset-646	154	4	c	c	NOUN
ajset-646	155	1	i	i	NOUN
ajset-646	155	2	e	e	PROPN
ajset-646	155	3	n	n	PROPN
ajset-646	155	4	c	c	NOUN
ajset-646	155	5	e	e	X
ajset-646	155	6	,	,	PUNCT
ajset-646	155	7	e	e	PROPN
ajset-646	155	8	n	n	PRON
ajset-646	155	9	g	g	NOUN
ajset-646	155	10	i	i	PRON
ajset-646	155	11	n	n	VERB
ajset-646	155	12	e	e	NOUN
ajset-646	155	13	e	e	NOUN
ajset-646	155	14	r	r	VERB
ajset-646	155	15	i	i	PRON
ajset-646	155	16	n	n	CCONJ
ajset-646	155	17	g	g	PROPN
ajset-646	155	18	a	a	DET
ajset-646	155	19	n	n	NOUN
ajset-646	155	20	d	d	NOUN
ajset-646	155	21	t	t	NOUN
ajset-646	155	22	e	e	X
ajset-646	155	23	c	c	NOUN
ajset-646	155	24	h	h	NOUN
ajset-646	155	25	n	n	ADV
ajset-646	155	26	o	o	NOUN
ajset-646	155	27	l	l	NOUN
ajset-646	156	1	o	o	X
ajset-646	156	2	g	g	NOUN
ajset-646	156	3	y	y	PROPN
ajset-646	156	4	|	|	ADV
ajset-646	156	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	156	6	fig	fig	NOUN
ajset-646	156	7	.	.	PUNCT
ajset-646	157	1	4	4	X
ajset-646	157	2	.	.	X
ajset-646	157	3	intermediates	intermediate	NOUN
ajset-646	157	4	of	of	ADP
ajset-646	157	5	the	the	DET
ajset-646	157	6	h2	h2	NOUN
ajset-646	157	7	adduct	adduct	NOUN
ajset-646	157	8	to	to	ADP
ajset-646	157	9	[	[	X
ajset-646	157	10	ni(p	ni(p	X
ajset-646	157	11	2n	2n	NUM
ajset-646	157	12	2)2	2)2	PROPN
ajset-646	157	13	]	]	PUNCT
ajset-646	157	14	model	model	NOUN
ajset-646	157	15	.	.	PUNCT
ajset-646	158	1	(	(	PUNCT
ajset-646	158	2	i	i	NOUN
ajset-646	158	3	)	)	PUNCT
ajset-646	158	4	loosely	loosely	ADV
ajset-646	158	5	bound	bind	VERB
ajset-646	158	6	dihyrogen[niii	dihyrogen[niii	PROPN
ajset-646	158	7	…	…	SYM
ajset-646	158	8	h2	h2	NOUN
ajset-646	158	9	]	]	X
ajset-646	158	10	2	2	NUM
ajset-646	158	11	+	+	NOUN
ajset-646	158	12	;	;	PUNCT
ajset-646	158	13	(	(	PUNCT
ajset-646	158	14	ii	ii	NOUN
ajset-646	158	15	)	)	PUNCT
ajset-646	158	16	strongly	strongly	ADV
ajset-646	158	17	bound	bind	VERB
ajset-646	158	18	dihydrogen	dihydrogen	NOUN
ajset-646	158	19	[	[	X
ajset-646	158	20	niii(h2	niii(h2	NOUN
ajset-646	158	21	)	)	PUNCT
ajset-646	158	22	]	]	PUNCT
ajset-646	158	23	2	2	NUM
ajset-646	158	24	+	+	NOUN
ajset-646	158	25	;	;	PUNCT
ajset-646	158	26	and	and	CCONJ
ajset-646	158	27	(	(	PUNCT
ajset-646	158	28	iii	iii	X
ajset-646	158	29	)	)	PUNCT
ajset-646	158	30	dihydride	dihydride	NOUN
ajset-646	159	1	[	[	X
ajset-646	159	2	niiv(h-)2	niiv(h-)2	X
ajset-646	159	3	]	]	X
ajset-646	159	4	2	2	NUM
ajset-646	159	5	+	+	NUM
ajset-646	159	6	trans	tran	NOUN
ajset-646	159	7	axial	axial	VERB
ajset-646	159	8	the	the	DET
ajset-646	159	9	plane	plane	NOUN
ajset-646	159	10	of	of	ADP
ajset-646	159	11	the	the	DET
ajset-646	159	12	metal	metal	NOUN
ajset-646	159	13	center	center	NOUN
ajset-646	159	14	and	and	CCONJ
ajset-646	159	15	phosphorous	phosphorous	ADJ
ajset-646	159	16	atoms	atom	NOUN
ajset-646	159	17	.	.	PUNCT
ajset-646	160	1	table	table	NOUN
ajset-646	160	2	1	1	NUM
ajset-646	160	3	:	:	PUNCT
ajset-646	160	4	intermediates	intermediate	NOUN
ajset-646	160	5	of	of	ADP
ajset-646	160	6	the	the	DET
ajset-646	160	7	h2	h2	NOUN
ajset-646	160	8	adduct	adduct	NOUN
ajset-646	160	9	for	for	ADP
ajset-646	160	10	the	the	DET
ajset-646	160	11	[	[	NOUN
ajset-646	160	12	ni(pcy	ni(pcy	ADJ
ajset-646	160	13	2n	2n	ADJ
ajset-646	160	14	bz	bz	PROPN
ajset-646	160	15	2)2	2)2	NUM
ajset-646	160	16	]	]	PUNCT
ajset-646	160	17	model	model	NOUN
ajset-646	160	18	.	.	PUNCT
ajset-646	161	1	[	[	X
ajset-646	161	2	niii	niii	NOUN
ajset-646	161	3	…	…	PUNCT
ajset-646	161	4	h2]2	h2]2	X
ajset-646	161	5	+	+	X
ajset-646	162	1	[	[	X
ajset-646	162	2	niii(h2)]2	niii(h2)]2	NOUN
ajset-646	162	3	+	+	X
ajset-646	162	4	[	[	X
ajset-646	162	5	niiv(h)2]2	niiv(h)2]2	ADJ
ajset-646	162	6	+	+	ADJ
ajset-646	162	7	trans	trans	PROPN
ajset-646	162	8	axial	axial	ADJ
ajset-646	162	9	bond	bond	NOUN
ajset-646	162	10	length	length	NOUN
ajset-646	162	11	(	(	PUNCT
ajset-646	162	12	å	å	NOUN
ajset-646	162	13	)	)	PUNCT
ajset-646	162	14	(	(	PUNCT
ajset-646	162	15	i	i	NOUN
ajset-646	162	16	)	)	PUNCT
ajset-646	162	17	(	(	PUNCT
ajset-646	162	18	ii	ii	NOUN
ajset-646	162	19	)	)	PUNCT
ajset-646	162	20	(	(	PUNCT
ajset-646	162	21	iii	iii	X
ajset-646	162	22	)	)	PUNCT
ajset-646	162	23	h1	h1	PROPN
ajset-646	162	24	-	-	PUNCT
ajset-646	162	25	--h2	--h2	PROPN
ajset-646	162	26	0.8	0.8	NUM
ajset-646	162	27	0.8	0.8	NUM
ajset-646	162	28	3.0	3.0	NUM
ajset-646	162	29	ni	ni	PROPN
ajset-646	162	30	---	---	PUNCT
ajset-646	162	31	h1	h1	PROPN
ajset-646	162	32	2.9	2.9	NUM
ajset-646	162	33	1.7	1.7	NUM
ajset-646	162	34	1.5	1.5	NUM
ajset-646	162	35	n	n	CCONJ
ajset-646	162	36	---	---	PUNCT
ajset-646	162	37	h1	h1	VERB
ajset-646	162	38	2.4	2.4	NUM
ajset-646	162	39	2.4	2.4	NUM
ajset-646	162	40	2.8	2.8	NUM
ajset-646	162	41	angle	angle	NOUN
ajset-646	162	42	(	(	PUNCT
ajset-646	162	43	degrees	degree	NOUN
ajset-646	162	44	)	)	PUNCT
ajset-646	162	45	p1	p1	NOUN
ajset-646	162	46	-	-	PUNCT
ajset-646	162	47	--ni	--ni	ADJ
ajset-646	162	48	---	---	PUNCT
ajset-646	162	49	p2	p2	PROPN
ajset-646	162	50	81.5	81.5	NUM
ajset-646	162	51	81.2	81.2	NUM
ajset-646	162	52	82.8	82.8	NUM
ajset-646	162	53	p3	p3	PROPN
ajset-646	162	54	-	-	PUNCT
ajset-646	162	55	--ni	--ni	ADJ
ajset-646	162	56	---	---	PUNCT
ajset-646	162	57	p4	p4	ADJ
ajset-646	162	58	81.5	81.5	NUM
ajset-646	162	59	81.2	81.2	NUM
ajset-646	162	60	82.8	82.8	NUM
ajset-646	162	61	p1	p1	NOUN
ajset-646	162	62	-	-	PUNCT
ajset-646	162	63	--ni	--ni	ADJ
ajset-646	162	64	---	---	PUNCT
ajset-646	162	65	p3	p3	NOUN
ajset-646	162	66	158.6	158.6	NUM
ajset-646	162	67	169.2	169.2	NUM
ajset-646	162	68	105.1	105.1	NUM
ajset-646	162	69	p2	p2	NOUN
ajset-646	162	70	-	-	PUNCT
ajset-646	162	71	--ni	--ni	ADJ
ajset-646	162	72	---	---	PUNCT
ajset-646	162	73	p4	p4	ADJ
ajset-646	162	74	156.8	156.8	NUM
ajset-646	162	75	141.3	141.3	NUM
ajset-646	162	76	105.1	105.1	NUM
ajset-646	162	77	h1	h1	NOUN
ajset-646	162	78	-	-	PUNCT
ajset-646	162	79	--ni	--ni	ADJ
ajset-646	162	80	---	---	PUNCT
ajset-646	162	81	h2	h2	NOUN
ajset-646	162	82	14.6	14.6	NUM
ajset-646	162	83	25.8	25.8	NUM
ajset-646	162	84	180.0	180.0	NUM
ajset-646	162	85	p2	p2	NOUN
ajset-646	162	86	-	-	PUNCT
ajset-646	162	87	--ni	--ni	ADJ
ajset-646	162	88	---	---	PUNCT
ajset-646	162	89	p3	p3	PROPN
ajset-646	162	90	102.9	102.9	NUM
ajset-646	162	91	102.5	102.5	NUM
ajset-646	162	92	149.8	149.8	NUM
ajset-646	162	93	p1	p1	NOUN
ajset-646	162	94	-	-	PUNCT
ajset-646	162	95	--ni	--ni	ADJ
ajset-646	162	96	---	---	PUNCT
ajset-646	162	97	p4	p4	ADJ
ajset-646	162	98	102.9	102.9	NUM
ajset-646	162	99	102.4	102.4	NUM
ajset-646	162	100	150.0	150.0	NUM
ajset-646	162	101	these	these	DET
ajset-646	162	102	intermediates	intermediate	NOUN
ajset-646	162	103	,	,	PUNCT
ajset-646	162	104	labeled	label	VERB
ajset-646	162	105	(	(	PUNCT
ajset-646	162	106	i	i	NOUN
ajset-646	162	107	)	)	PUNCT
ajset-646	162	108	,	,	PUNCT
ajset-646	162	109	(	(	PUNCT
ajset-646	162	110	ii	ii	NOUN
ajset-646	162	111	)	)	PUNCT
ajset-646	162	112	,	,	PUNCT
ajset-646	162	113	(	(	PUNCT
ajset-646	162	114	iii	iii	NOUN
ajset-646	162	115	)	)	PUNCT
ajset-646	162	116	,	,	PUNCT
ajset-646	162	117	ordered	order	VERB
ajset-646	162	118	energetically	energetically	ADV
ajset-646	162	119	from	from	ADP
ajset-646	162	120	lowest	low	ADJ
ajset-646	162	121	to	to	ADP
ajset-646	162	122	highest	high	ADJ
ajset-646	162	123	are	be	AUX
ajset-646	162	124	[	[	X
ajset-646	162	125	niii∙∙∙h2	niii∙∙∙h2	X
ajset-646	162	126	]	]	X
ajset-646	162	127	2	2	NUM
ajset-646	162	128	+	+	NOUN
ajset-646	162	129	,	,	PUNCT
ajset-646	162	130	[	[	X
ajset-646	162	131	niii(h2	niii(h2	NOUN
ajset-646	162	132	)	)	PUNCT
ajset-646	162	133	]	]	PUNCT
ajset-646	163	1	2	2	NUM
ajset-646	163	2	+	+	NUM
ajset-646	163	3	and	and	CCONJ
ajset-646	163	4	[	[	X
ajset-646	163	5	niiv(h¯)2	niiv(h¯)2	X
ajset-646	163	6	]	]	X
ajset-646	163	7	2	2	NUM
ajset-646	163	8	+	+	ADJ
ajset-646	163	9	,	,	PUNCT
ajset-646	163	10	respectively	respectively	ADV
ajset-646	163	11	.	.	PUNCT
ajset-646	164	1	bond	bond	NOUN
ajset-646	164	2	distances	distance	NOUN
ajset-646	164	3	shown	show	VERB
ajset-646	164	4	in	in	ADP
ajset-646	164	5	table	table	NOUN
ajset-646	164	6	1	1	NUM
ajset-646	164	7	confirm	confirm	VERB
ajset-646	164	8	the	the	DET
ajset-646	164	9	assignment	assignment	NOUN
ajset-646	164	10	of	of	ADP
ajset-646	164	11	(	(	PUNCT
ajset-646	164	12	i	i	NOUN
ajset-646	164	13	)	)	PUNCT
ajset-646	164	14	as	as	ADP
ajset-646	164	15	a	a	DET
ajset-646	164	16	dihydrogen	dihydrogen	NOUN
ajset-646	164	17	loosely	loosely	ADV
ajset-646	164	18	bound	bind	VERB
ajset-646	164	19	to	to	ADP
ajset-646	164	20	the	the	DET
ajset-646	164	21	catalyst	catalyst	NOUN
ajset-646	164	22	and	and	CCONJ
ajset-646	164	23	(	(	PUNCT
ajset-646	164	24	ii	ii	NOUN
ajset-646	164	25	)	)	PUNCT
ajset-646	164	26	as	as	ADP
ajset-646	164	27	a	a	DET
ajset-646	164	28	dihydrogen	dihydrogen	NOUN
ajset-646	164	29	strongly	strongly	ADV
ajset-646	164	30	bound	bind	VERB
ajset-646	164	31	to	to	ADP
ajset-646	164	32	the	the	DET
ajset-646	164	33	metal	metal	NOUN
ajset-646	164	34	center	center	NOUN
ajset-646	164	35	,	,	PUNCT
ajset-646	164	36	given	give	VERB
ajset-646	164	37	the	the	DET
ajset-646	164	38	short	short	ADJ
ajset-646	164	39	hh	hh	ADJ
ajset-646	164	40	bond	bond	NOUN
ajset-646	164	41	of	of	ADP
ajset-646	164	42	around	around	ADV
ajset-646	164	43	0.8	0.8	NUM
ajset-646	164	44	å	å	NOUN
ajset-646	164	45	.	.	PUNCT
ajset-646	165	1	the	the	DET
ajset-646	165	2	(	(	PUNCT
ajset-646	165	3	i	i	NOUN
ajset-646	165	4	)	)	PUNCT
ajset-646	165	5	and	and	CCONJ
ajset-646	165	6	(	(	PUNCT
ajset-646	165	7	ii	ii	NOUN
ajset-646	165	8	)	)	PUNCT
ajset-646	165	9	intermediates	intermediate	NOUN
ajset-646	165	10	have	have	VERB
ajset-646	165	11	similar	similar	ADJ
ajset-646	165	12	distances	distance	NOUN
ajset-646	165	13	from	from	ADP
ajset-646	165	14	the	the	DET
ajset-646	165	15	nearest	near	ADJ
ajset-646	165	16	h	h	NOUN
ajset-646	165	17	atom	atom	NOUN
ajset-646	165	18	to	to	ADP
ajset-646	165	19	the	the	DET
ajset-646	165	20	nitrogen	nitrogen	NOUN
ajset-646	165	21	base	base	NOUN
ajset-646	165	22	sites	site	NOUN
ajset-646	165	23	of	of	ADP
ajset-646	165	24	approximately	approximately	ADV
ajset-646	165	25	2.4	2.4	NUM
ajset-646	165	26	å	å	NOUN
ajset-646	165	27	,	,	PUNCT
ajset-646	165	28	a	a	DET
ajset-646	165	29	reasonable	reasonable	ADJ
ajset-646	165	30	pt	pt	NOUN
ajset-646	165	31	distance	distance	NOUN
ajset-646	165	32	under	under	ADP
ajset-646	165	33	the	the	DET
ajset-646	165	34	appropriate	appropriate	ADJ
ajset-646	165	35	acid	acid	NOUN
ajset-646	165	36	/	/	SYM
ajset-646	165	37	base	base	NOUN
ajset-646	165	38	conditions	condition	NOUN
ajset-646	165	39	.	.	PUNCT
ajset-646	166	1	the	the	DET
ajset-646	166	2	third	third	ADJ
ajset-646	166	3	h2	h2	NOUN
ajset-646	166	4	adduct	adduct	NOUN
ajset-646	166	5	,	,	PUNCT
ajset-646	166	6	(	(	PUNCT
ajset-646	166	7	iii	iii	NOUN
ajset-646	166	8	)	)	PUNCT
ajset-646	166	9	,	,	PUNCT
ajset-646	166	10	is	be	AUX
ajset-646	166	11	a	a	DET
ajset-646	166	12	trans	trans	PROPN
ajset-646	166	13	axial	axial	ADJ
ajset-646	166	14	dihydride	dihydride	ADV
ajset-646	166	15	across	across	ADP
ajset-646	166	16	the	the	DET
ajset-646	166	17	plane	plane	NOUN
ajset-646	166	18	of	of	ADP
ajset-646	166	19	the	the	DET
ajset-646	166	20	metal	metal	NOUN
ajset-646	166	21	center	center	NOUN
ajset-646	166	22	and	and	CCONJ
ajset-646	166	23	the	the	DET
ajset-646	166	24	four	four	NUM
ajset-646	166	25	phosphorous	phosphorous	ADJ
ajset-646	166	26	atoms	atom	NOUN
ajset-646	166	27	,	,	PUNCT
ajset-646	166	28	and	and	CCONJ
ajset-646	166	29	has	have	VERB
ajset-646	166	30	longer	long	ADJ
ajset-646	166	31	distances	distance	NOUN
ajset-646	166	32	between	between	ADP
ajset-646	166	33	the	the	DET
ajset-646	166	34	hydride	hydride	NOUN
ajset-646	166	35	and	and	CCONJ
ajset-646	166	36	nitrogen	nitrogen	NOUN
ajset-646	166	37	of	of	ADP
ajset-646	166	38	around	around	ADP
ajset-646	166	39	2.8	2.8	NUM
ajset-646	166	40	å	å	NOUN
ajset-646	166	41	.	.	PUNCT
ajset-646	167	1	the	the	DET
ajset-646	167	2	trans	trans	PROPN
ajset-646	167	3	axial	axial	ADJ
ajset-646	167	4	positioning	positioning	NOUN
ajset-646	167	5	of	of	ADP
ajset-646	167	6	the	the	DET
ajset-646	167	7	hydrides	hydride	NOUN
ajset-646	167	8	across	across	ADP
ajset-646	167	9	the	the	DET
ajset-646	167	10	metal	metal	NOUN
ajset-646	167	11	phosphide	phosphide	ADJ
ajset-646	167	12	plane	plane	NOUN
ajset-646	167	13	was	be	AUX
ajset-646	167	14	the	the	DET
ajset-646	167	15	only	only	ADJ
ajset-646	167	16	possible	possible	ADJ
ajset-646	167	17	dihydride	dihydride	NOUN
ajset-646	167	18	complex	complex	NOUN
ajset-646	167	19	that	that	PRON
ajset-646	167	20	could	could	AUX
ajset-646	167	21	be	be	AUX
ajset-646	167	22	found	find	VERB
ajset-646	167	23	for	for	ADP
ajset-646	167	24	this	this	DET
ajset-646	167	25	catalyst	catalyst	NOUN
ajset-646	167	26	model	model	NOUN
ajset-646	167	27	given	give	VERB
ajset-646	167	28	the	the	DET
ajset-646	167	29	low	low	ADJ
ajset-646	167	30	flexibility	flexibility	NOUN
ajset-646	167	31	of	of	ADP
ajset-646	167	32	the	the	DET
ajset-646	167	33	boat	boat	NOUN
ajset-646	167	34	/	/	SYM
ajset-646	167	35	boat	boat	NOUN
ajset-646	167	36	configuration	configuration	NOUN
ajset-646	167	37	of	of	ADP
ajset-646	167	38	the	the	DET
ajset-646	167	39	diphosphine	diphosphine	PROPN
ajset-646	167	40	rings	ring	NOUN
ajset-646	167	41	with	with	ADP
ajset-646	167	42	respect	respect	NOUN
ajset-646	167	43	to	to	ADP
ajset-646	167	44	the	the	DET
ajset-646	167	45	metal	metal	NOUN
ajset-646	167	46	center	center	NOUN
ajset-646	167	47	.	.	PUNCT
ajset-646	168	1	on	on	ADP
ajset-646	168	2	the	the	DET
ajset-646	168	3	other	other	ADJ
ajset-646	168	4	hand	hand	NOUN
ajset-646	168	5	,	,	PUNCT
ajset-646	168	6	starting	start	VERB
ajset-646	168	7	from	from	ADP
ajset-646	168	8	many	many	ADJ
ajset-646	168	9	different	different	ADJ
ajset-646	168	10	conformers	conformer	NOUN
ajset-646	168	11	,	,	PUNCT
ajset-646	168	12	the	the	DET
ajset-646	168	13	h2	h2	NOUN
ajset-646	168	14	adduct	adduct	NOUN
ajset-646	168	15	to	to	ADP
ajset-646	168	16	[	[	X
ajset-646	168	17	ni(pph	ni(pph	PROPN
ajset-646	168	18	2n	2n	NUM
ajset-646	168	19	ph	ph	PROPN
ajset-646	168	20	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	168	21	)	)	PUNCT
ajset-646	168	22	]	]	PUNCT
ajset-646	168	23	converged	converge	VERB
ajset-646	168	24	to	to	ADP
ajset-646	168	25	four	four	NUM
ajset-646	168	26	stable	stable	ADJ
ajset-646	168	27	intermediates	intermediate	NOUN
ajset-646	168	28	,	,	PUNCT
ajset-646	168	29	ordered	order	VERB
ajset-646	168	30	energetically	energetically	ADV
ajset-646	168	31	from	from	ADP
ajset-646	168	32	lowest	low	ADJ
ajset-646	168	33	to	to	ADP
ajset-646	168	34	highest	high	ADJ
ajset-646	168	35	in	in	ADP
ajset-646	168	36	fig	fig	NOUN
ajset-646	168	37	.	.	PUNCT
ajset-646	169	1	5	5	NUM
ajset-646	169	2	.	.	NOUN
ajset-646	169	3	similar	similar	ADJ
ajset-646	169	4	to	to	ADP
ajset-646	169	5	the	the	DET
ajset-646	169	6	[	[	X
ajset-646	169	7	ni(pcy	ni(pcy	ADJ
ajset-646	169	8	2n	2n	ADJ
ajset-646	169	9	bz	bz	PROPN
ajset-646	169	10	2)2	2)2	PROPN
ajset-646	169	11	]	]	PUNCT
ajset-646	169	12	model	model	NOUN
ajset-646	169	13	,	,	PUNCT
ajset-646	169	14	intermediates	intermediate	NOUN
ajset-646	169	15	(	(	PUNCT
ajset-646	169	16	i	i	NOUN
ajset-646	169	17	’	'	PUNCT
ajset-646	169	18	)	)	PUNCT
ajset-646	169	19	,	,	PUNCT
ajset-646	169	20	(	(	PUNCT
ajset-646	169	21	ii	ii	NOUN
ajset-646	169	22	’	'	PUNCT
ajset-646	169	23	)	)	PUNCT
ajset-646	169	24	and	and	CCONJ
ajset-646	169	25	(	(	PUNCT
ajset-646	169	26	iii	iii	NOUN
ajset-646	169	27	’	'	PUNCT
ajset-646	169	28	)	)	PUNCT
ajset-646	169	29	are	be	AUX
ajset-646	169	30	the	the	DET
ajset-646	169	31	loosely	loosely	ADV
ajset-646	169	32	bound	bind	VERB
ajset-646	169	33	dihydrogen	dihydrogen	NOUN
ajset-646	169	34	,	,	PUNCT
ajset-646	169	35	strongly	strongly	ADV
ajset-646	169	36	bound	bind	VERB
ajset-646	169	37	dihydrogen	dihydrogen	NOUN
ajset-646	169	38	and	and	CCONJ
ajset-646	169	39	trans	trans	PROPN
ajset-646	169	40	axial	axial	PROPN
ajset-646	169	41	dihydride	dihydride	ADV
ajset-646	169	42	respectively	respectively	ADV
ajset-646	169	43	,	,	PUNCT
ajset-646	169	44	as	as	SCONJ
ajset-646	169	45	shown	show	VERB
ajset-646	169	46	by	by	ADP
ajset-646	169	47	the	the	DET
ajset-646	169	48	bond	bond	NOUN
ajset-646	169	49	distance	distance	NOUN
ajset-646	169	50	and	and	CCONJ
ajset-646	169	51	angles	angle	NOUN
ajset-646	169	52	in	in	ADP
ajset-646	169	53	table	table	NOUN
ajset-646	169	54	2	2	NUM
ajset-646	169	55	.	.	PUNCT
ajset-646	170	1	however	however	ADV
ajset-646	170	2	,	,	PUNCT
ajset-646	170	3	an	an	DET
ajset-646	170	4	additional	additional	ADJ
ajset-646	170	5	h2	h2	NOUN
ajset-646	170	6	adduct	adduct	NOUN
ajset-646	170	7	found	find	VERB
ajset-646	170	8	for	for	ADP
ajset-646	170	9	this	this	DET
ajset-646	170	10	system	system	NOUN
ajset-646	170	11	is	be	AUX
ajset-646	170	12	a	a	DET
ajset-646	170	13	complex	complex	NOUN
ajset-646	170	14	with	with	ADP
ajset-646	170	15	the	the	DET
ajset-646	170	16	dihydride	dihydride	NOUN
ajset-646	170	17	atoms	atom	NOUN
ajset-646	170	18	on	on	ADP
ajset-646	170	19	the	the	DET
ajset-646	170	20	same	same	ADJ
ajset-646	170	21	face	face	NOUN
ajset-646	170	22	of	of	ADP
ajset-646	170	23	the	the	DET
ajset-646	170	24	metal	metal	NOUN
ajset-646	170	25	-	-	PUNCT
ajset-646	170	26	diphosphine	diphosphine	NOUN
ajset-646	170	27	plane	plane	NOUN
ajset-646	170	28	,	,	PUNCT
ajset-646	170	29	third	third	ADV
ajset-646	170	30	highest	high	ADJ
ajset-646	170	31	in	in	ADP
ajset-646	170	32	energy	energy	NOUN
ajset-646	170	33	from	from	ADP
ajset-646	170	34	the	the	DET
ajset-646	170	35	other	other	ADJ
ajset-646	170	36	h2	h2	NOUN
ajset-646	170	37	adducts	adduct	NOUN
ajset-646	170	38	,	,	PUNCT
ajset-646	170	39	as	as	SCONJ
ajset-646	170	40	shown	show	VERB
ajset-646	170	41	in	in	ADP
ajset-646	170	42	figure	figure	NOUN
ajset-646	170	43	6	6	NUM
ajset-646	170	44	.	.	PUNCT
ajset-646	171	1	for	for	ADP
ajset-646	171	2	this	this	DET
ajset-646	171	3	case	case	NOUN
ajset-646	171	4	,	,	PUNCT
ajset-646	171	5	both	both	DET
ajset-646	171	6	hydride	hydride	NOUN
ajset-646	171	7	ions	ion	NOUN
ajset-646	171	8	remain	remain	VERB
ajset-646	171	9	on	on	ADP
ajset-646	171	10	the	the	DET
ajset-646	171	11	same	same	ADJ
ajset-646	171	12	side	side	NOUN
ajset-646	171	13	of	of	ADP
ajset-646	171	14	the	the	DET
ajset-646	171	15	metal	metal	NOUN
ajset-646	171	16	phosphide	phosphide	ADJ
ajset-646	171	17	plane	plane	NOUN
ajset-646	171	18	because	because	SCONJ
ajset-646	171	19	the	the	DET
ajset-646	171	20	boat	boat	NOUN
ajset-646	171	21	/	/	SYM
ajset-646	171	22	chair	chair	NOUN
ajset-646	171	23	conformation	conformation	NOUN
ajset-646	171	24	of	of	ADP
ajset-646	171	25	the	the	DET
ajset-646	171	26	diphosphine	diphosphine	PROPN
ajset-646	171	27	rings	ring	NOUN
ajset-646	171	28	offers	offer	VERB
ajset-646	171	29	more	more	ADJ
ajset-646	171	30	flexibility	flexibility	NOUN
ajset-646	171	31	at	at	ADP
ajset-646	171	32	the	the	DET
ajset-646	171	33	metal	metal	NOUN
ajset-646	171	34	center	center	NOUN
ajset-646	171	35	.	.	PUNCT
ajset-646	172	1	this	this	DET
ajset-646	172	2	dihydride	dihydride	NOUN
ajset-646	172	3	intermediate	intermediate	PROPN
ajset-646	172	4	[	[	X
ajset-646	172	5	niiv(h¯)2(ch3cn)]2	niiv(h¯)2(ch3cn)]2	NOUN
ajset-646	172	6	+	+	NUM
ajset-646	172	7	has	have	VERB
ajset-646	172	8	nickel	nickel	NOUN
ajset-646	172	9	hydride	hydride	NOUN
ajset-646	172	10	bond	bond	NOUN
ajset-646	172	11	lengths	length	NOUN
ajset-646	172	12	of	of	ADP
ajset-646	172	13	1.5å	1.5å	NUM
ajset-646	172	14	,	,	PUNCT
ajset-646	172	15	similar	similar	ADJ
ajset-646	172	16	to	to	ADP
ajset-646	172	17	the	the	DET
ajset-646	172	18	dihydride	dihydride	NOUN
ajset-646	172	19	of	of	ADP
ajset-646	172	20	the	the	DET
ajset-646	172	21	[	[	X
ajset-646	172	22	ni(pcy	ni(pcy	ADJ
ajset-646	172	23	2n	2n	ADJ
ajset-646	172	24	bz	bz	PROPN
ajset-646	172	25	2)2	2)2	NUM
ajset-646	172	26	]	]	PUNCT
ajset-646	172	27	model	model	NOUN
ajset-646	172	28	.	.	PUNCT
ajset-646	173	1	figure	figure	VERB
ajset-646	173	2	6	6	NUM
ajset-646	173	3	summarizes	summarize	NOUN
ajset-646	173	4	the	the	DET
ajset-646	173	5	comparison	comparison	NOUN
ajset-646	173	6	of	of	ADP
ajset-646	173	7	the	the	DET
ajset-646	173	8	energies	energy	NOUN
ajset-646	173	9	of	of	ADP
ajset-646	173	10	the	the	DET
ajset-646	173	11	various	various	ADJ
ajset-646	173	12	h2	h2	PROPN
ajset-646	173	13	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	173	14	academic	academic	ADJ
ajset-646	173	15	journal	journal	NOUN
ajset-646	173	16	of	of	ADP
ajset-646	173	17	science	science	NOUN
ajset-646	173	18	,	,	PUNCT
ajset-646	173	19	engineering	engineering	NOUN
ajset-646	173	20	and	and	CCONJ
ajset-646	173	21	technology	technology	NOUN
ajset-646	173	22	vol.6	vol.6	PROPN
ajset-646	173	23	,	,	PUNCT
ajset-646	173	24	issue	issue	NOUN
ajset-646	173	25	5	5	NUM
ajset-646	173	26	;	;	PUNCT
ajset-646	173	27	september	september	PROPN
ajset-646	173	28	october	october	PROPN
ajset-646	173	29	2021	2021	NUM
ajset-646	173	30	;	;	PUNCT
ajset-646	173	31	1252	1252	NUM
ajset-646	173	32	columbia	columbia	PROPN
ajset-646	173	33	rd	rd	PROPN
ajset-646	173	34	nw	nw	PROPN
ajset-646	173	35	,	,	PUNCT
ajset-646	173	36	washington	washington	PROPN
ajset-646	173	37	dc	dc	PROPN
ajset-646	173	38	,	,	PUNCT
ajset-646	173	39	united	united	PROPN
ajset-646	173	40	states	states	PROPN
ajset-646	173	41	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	173	42	;	;	PUNCT
ajset-646	173	43	mail	mail	NOUN
ajset-646	173	44	:	:	PUNCT
ajset-646	173	45	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	174	1	9	9	NUM
ajset-646	175	1	|	|	ADV
ajset-646	175	2	a	a	DET
ajset-646	175	3	c	c	NOUN
ajset-646	175	4	a	a	PRON
ajset-646	175	5	d	d	X
ajset-646	175	6	e	e	NOUN
ajset-646	175	7	m	m	NOUN
ajset-646	175	8	i	i	NOUN
ajset-646	175	9	c	c	NOUN
ajset-646	175	10	j	j	NOUN
ajset-646	175	11	o	o	X
ajset-646	175	12	u	u	NOUN
ajset-646	175	13	r	r	NOUN
ajset-646	175	14	n	n	NOUN
ajset-646	175	15	a	a	DET
ajset-646	175	16	l	l	NOUN
ajset-646	176	1	o	o	X
ajset-646	176	2	f	f	X
ajset-646	176	3	s	s	X
ajset-646	176	4	c	c	NOUN
ajset-646	177	1	i	i	NOUN
ajset-646	177	2	e	e	PROPN
ajset-646	177	3	n	n	PROPN
ajset-646	177	4	c	c	NOUN
ajset-646	177	5	e	e	X
ajset-646	177	6	,	,	PUNCT
ajset-646	177	7	e	e	PROPN
ajset-646	177	8	n	n	PRON
ajset-646	177	9	g	g	NOUN
ajset-646	177	10	i	i	PRON
ajset-646	177	11	n	n	VERB
ajset-646	177	12	e	e	NOUN
ajset-646	177	13	e	e	NOUN
ajset-646	177	14	r	r	VERB
ajset-646	177	15	i	i	PRON
ajset-646	177	16	n	n	CCONJ
ajset-646	177	17	g	g	PROPN
ajset-646	177	18	a	a	DET
ajset-646	177	19	n	n	NOUN
ajset-646	177	20	d	d	NOUN
ajset-646	177	21	t	t	NOUN
ajset-646	177	22	e	e	X
ajset-646	177	23	c	c	NOUN
ajset-646	177	24	h	h	NOUN
ajset-646	177	25	n	n	ADV
ajset-646	177	26	o	o	NOUN
ajset-646	177	27	l	l	NOUN
ajset-646	178	1	o	o	X
ajset-646	178	2	g	g	NOUN
ajset-646	178	3	y	y	PROPN
ajset-646	178	4	|	|	ADV
ajset-646	178	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	178	6	adducts	adduct	NOUN
ajset-646	178	7	with	with	ADP
ajset-646	178	8	respect	respect	NOUN
ajset-646	178	9	to	to	ADP
ajset-646	178	10	the	the	DET
ajset-646	178	11	type	type	NOUN
ajset-646	178	12	-	-	PUNCT
ajset-646	178	13	ii	ii	NOUN
ajset-646	178	14	h2	h2	NOUN
ajset-646	178	15	bond	bond	NOUN
ajset-646	178	16	cleaved	cleave	VERB
ajset-646	178	17	(	(	PUNCT
ajset-646	178	18	1a	1a	X
ajset-646	178	19	)	)	PUNCT
ajset-646	178	20	and	and	CCONJ
ajset-646	178	21	type	type	NOUN
ajset-646	178	22	-	-	PUNCT
ajset-646	178	23	i	i	NOUN
ajset-646	178	24	h2	h2	NOUN
ajset-646	178	25	bond	bond	NOUN
ajset-646	178	26	cleaved	cleave	VERB
ajset-646	178	27	(	(	PUNCT
ajset-646	178	28	1b	1b	NUM
ajset-646	178	29	)	)	PUNCT
ajset-646	178	30	intermediates	intermediate	NOUN
ajset-646	178	31	for	for	ADP
ajset-646	178	32	the	the	DET
ajset-646	178	33	two	two	NUM
ajset-646	178	34	models	model	NOUN
ajset-646	178	35	.	.	PUNCT
ajset-646	179	1	figure	figure	NOUN
ajset-646	179	2	6(a	6(a	NUM
ajset-646	179	3	)	)	PUNCT
ajset-646	179	4	for	for	ADP
ajset-646	179	5	the	the	DET
ajset-646	179	6	[	[	X
ajset-646	179	7	ni(pph	ni(pph	PROPN
ajset-646	179	8	2n	2n	NUM
ajset-646	179	9	ph	ph	PROPN
ajset-646	179	10	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	179	11	)	)	PUNCT
ajset-646	179	12	]	]	PUNCT
ajset-646	179	13	model	model	NOUN
ajset-646	179	14	shows	show	VERB
ajset-646	179	15	that	that	SCONJ
ajset-646	179	16	the	the	DET
ajset-646	179	17	dihydride	dihydride	NOUN
ajset-646	179	18	intermediate	intermediate	ADJ
ajset-646	179	19	(	(	PUNCT
ajset-646	179	20	iv	iv	X
ajset-646	179	21	’	'	PUNCT
ajset-646	179	22	)	)	PUNCT
ajset-646	179	23	is	be	AUX
ajset-646	179	24	nearly	nearly	ADV
ajset-646	179	25	isoenergetic	isoenergetic	ADJ
ajset-646	179	26	with	with	ADP
ajset-646	179	27	the	the	DET
ajset-646	179	28	type	type	NOUN
ajset-646	179	29	-	-	PUNCT
ajset-646	179	30	ii	ii	NOUN
ajset-646	179	31	h2	h2	NOUN
ajset-646	179	32	bond	bond	NOUN
ajset-646	179	33	cleaved	cleave	VERB
ajset-646	179	34	intermediate	intermediate	ADJ
ajset-646	179	35	(	(	PUNCT
ajset-646	179	36	1a	1a	NUM
ajset-646	179	37	)	)	PUNCT
ajset-646	179	38	,	,	PUNCT
ajset-646	179	39	differing	differ	VERB
ajset-646	179	40	in	in	ADP
ajset-646	179	41	energy	energy	NOUN
ajset-646	179	42	by	by	ADP
ajset-646	179	43	0.06	0.06	NUM
ajset-646	179	44	ev	ev	PROPN
ajset-646	179	45	.	.	PROPN
ajset-646	179	46	figure	figure	NOUN
ajset-646	179	47	6(b	6(b	NUM
ajset-646	179	48	)	)	PUNCT
ajset-646	179	49	for	for	ADP
ajset-646	179	50	the	the	DET
ajset-646	179	51	[	[	NOUN
ajset-646	179	52	ni(pcy	ni(pcy	ADJ
ajset-646	179	53	2n	2n	ADJ
ajset-646	179	54	bz	bz	PROPN
ajset-646	179	55	2)2	2)2	PROPN
ajset-646	179	56	]	]	PUNCT
ajset-646	179	57	model	model	NOUN
ajset-646	179	58	shows	show	VERB
ajset-646	179	59	that	that	SCONJ
ajset-646	179	60	the	the	DET
ajset-646	179	61	energies	energy	NOUN
ajset-646	179	62	of	of	ADP
ajset-646	179	63	the	the	DET
ajset-646	179	64	loosely	loosely	ADV
ajset-646	179	65	bound	bind	VERB
ajset-646	179	66	dihydrogen	dihydrogen	NOUN
ajset-646	179	67	complex	complex	NOUN
ajset-646	179	68	(	(	PUNCT
ajset-646	179	69	i	i	NOUN
ajset-646	179	70	)	)	PUNCT
ajset-646	179	71	and	and	CCONJ
ajset-646	179	72	the	the	DET
ajset-646	179	73	type	type	NOUN
ajset-646	179	74	-	-	PUNCT
ajset-646	179	75	i	i	NOUN
ajset-646	179	76	h2	h2	NOUN
ajset-646	179	77	bond	bond	NOUN
ajset-646	179	78	cleaved	cleave	VERB
ajset-646	179	79	[	[	X
ajset-646	179	80	niii(h-)-nh+]2	niii(h-)-nh+]2	X
ajset-646	179	81	+	+	CCONJ
ajset-646	179	82	intermediate	intermediate	ADJ
ajset-646	179	83	(	(	PUNCT
ajset-646	179	84	1b	1b	NUM
ajset-646	179	85	)	)	PUNCT
ajset-646	179	86	are	be	AUX
ajset-646	179	87	nearly	nearly	ADV
ajset-646	179	88	isoenergetic	isoenergetic	ADJ
ajset-646	179	89	,	,	PUNCT
ajset-646	179	90	differing	differ	VERB
ajset-646	179	91	by	by	ADP
ajset-646	179	92	only	only	ADV
ajset-646	179	93	0.023	0.023	NUM
ajset-646	179	94	ev	ev	NOUN
ajset-646	179	95	.	.	PUNCT
ajset-646	180	1	likewise	likewise	ADV
ajset-646	180	2	,	,	PUNCT
ajset-646	180	3	the	the	DET
ajset-646	180	4	energies	energy	NOUN
ajset-646	180	5	of	of	ADP
ajset-646	180	6	the	the	DET
ajset-646	180	7	dihydride	dihydride	PROPN
ajset-646	180	8	(	(	PUNCT
ajset-646	180	9	iii	iii	NOUN
ajset-646	180	10	)	)	PUNCT
ajset-646	180	11	and	and	CCONJ
ajset-646	180	12	the	the	DET
ajset-646	180	13	typeii	typeii	PROPN
ajset-646	180	14	h2	h2	NOUN
ajset-646	180	15	bond	bond	NOUN
ajset-646	180	16	cleaved	cleaved	ADJ
ajset-646	180	17	intermediates	intermediate	NOUN
ajset-646	180	18	(	(	PUNCT
ajset-646	180	19	1a	1a	X
ajset-646	180	20	)	)	PUNCT
ajset-646	180	21	are	be	AUX
ajset-646	180	22	relatively	relatively	ADV
ajset-646	180	23	similar	similar	ADJ
ajset-646	180	24	,	,	PUNCT
ajset-646	180	25	differing	differ	VERB
ajset-646	180	26	by	by	ADP
ajset-646	180	27	0.14	0.14	NUM
ajset-646	180	28	ev	ev	PROPN
ajset-646	180	29	.	.	PUNCT
ajset-646	181	1	the	the	DET
ajset-646	181	2	h2	h2	PROPN
ajset-646	181	3	adduct	adduct	VERB
ajset-646	181	4	nearest	near	ADV
ajset-646	181	5	in	in	ADP
ajset-646	181	6	energy	energy	NOUN
ajset-646	181	7	to	to	ADP
ajset-646	181	8	the	the	DET
ajset-646	181	9	type	type	NOUN
ajset-646	181	10	-	-	PUNCT
ajset-646	181	11	i	i	NOUN
ajset-646	181	12	or	or	CCONJ
ajset-646	181	13	type	type	NOUN
ajset-646	181	14	-	-	PUNCT
ajset-646	181	15	ii	ii	NOUN
ajset-646	181	16	h2	h2	NOUN
ajset-646	181	17	bond	bond	NOUN
ajset-646	181	18	cleaved	cleaved	ADJ
ajset-646	181	19	species	specie	NOUN
ajset-646	181	20	is	be	AUX
ajset-646	181	21	a	a	DET
ajset-646	181	22	good	good	ADJ
ajset-646	181	23	starting	starting	NOUN
ajset-646	181	24	point	point	NOUN
ajset-646	181	25	for	for	ADP
ajset-646	181	26	locating	locate	VERB
ajset-646	181	27	the	the	DET
ajset-646	181	28	transition	transition	NOUN
ajset-646	181	29	state	state	NOUN
ajset-646	181	30	of	of	ADP
ajset-646	181	31	this	this	DET
ajset-646	181	32	initial	initial	ADJ
ajset-646	181	33	step	step	NOUN
ajset-646	181	34	and	and	CCONJ
ajset-646	181	35	efforts	effort	NOUN
ajset-646	181	36	are	be	AUX
ajset-646	181	37	underway	underway	ADJ
ajset-646	181	38	in	in	ADP
ajset-646	181	39	this	this	DET
ajset-646	181	40	search	search	NOUN
ajset-646	181	41	.	.	PUNCT
ajset-646	182	1	the	the	DET
ajset-646	182	2	trend	trend	NOUN
ajset-646	182	3	in	in	ADP
ajset-646	182	4	figure	figure	NOUN
ajset-646	182	5	6	6	NUM
ajset-646	182	6	shows	show	VERB
ajset-646	182	7	that	that	SCONJ
ajset-646	182	8	formation	formation	NOUN
ajset-646	182	9	of	of	ADP
ajset-646	182	10	the	the	DET
ajset-646	182	11	type	type	NOUN
ajset-646	182	12	-	-	PUNCT
ajset-646	182	13	ii	ii	NOUN
ajset-646	182	14	h2	h2	NOUN
ajset-646	182	15	bond	bond	NOUN
ajset-646	182	16	cleaved	cleave	VERB
ajset-646	182	17	intermediate	intermediate	ADJ
ajset-646	182	18	(	(	PUNCT
ajset-646	182	19	1a	1a	X
ajset-646	182	20	)	)	PUNCT
ajset-646	182	21	will	will	AUX
ajset-646	182	22	likely	likely	ADV
ajset-646	182	23	be	be	AUX
ajset-646	182	24	preceded	precede	VERB
ajset-646	182	25	by	by	ADP
ajset-646	182	26	a	a	DET
ajset-646	182	27	dihydride	dihydride	NOUN
ajset-646	182	28	intermediate	intermediate	ADJ
ajset-646	182	29	,	,	PUNCT
ajset-646	182	30	and	and	CCONJ
ajset-646	182	31	similarly	similarly	ADV
ajset-646	182	32	,	,	PUNCT
ajset-646	182	33	formation	formation	NOUN
ajset-646	182	34	of	of	ADP
ajset-646	182	35	the	the	DET
ajset-646	182	36	type	type	NOUN
ajset-646	182	37	-	-	PUNCT
ajset-646	182	38	i	i	PRON
ajset-646	182	39	h2	h2	NOUN
ajset-646	182	40	bond	bond	NOUN
ajset-646	182	41	cleaved	cleave	VERB
ajset-646	182	42	intermediate	intermediate	ADJ
ajset-646	182	43	(	(	PUNCT
ajset-646	182	44	1b	1b	NUM
ajset-646	182	45	)	)	PUNCT
ajset-646	182	46	will	will	AUX
ajset-646	182	47	likely	likely	ADV
ajset-646	182	48	be	be	AUX
ajset-646	182	49	preceded	precede	VERB
ajset-646	182	50	by	by	ADP
ajset-646	182	51	the	the	DET
ajset-646	182	52	dihydrogen	dihydrogen	NOUN
ajset-646	182	53	complex	complex	NOUN
ajset-646	182	54	.	.	PUNCT
ajset-646	183	1	fig	fig	NOUN
ajset-646	183	2	.	.	PUNCT
ajset-646	184	1	5	5	NUM
ajset-646	184	2	:	:	PUNCT
ajset-646	184	3	intermediates	intermediate	NOUN
ajset-646	184	4	of	of	ADP
ajset-646	184	5	the	the	DET
ajset-646	184	6	h2	h2	NOUN
ajset-646	184	7	adduct	adduct	NOUN
ajset-646	184	8	to	to	ADP
ajset-646	184	9	[	[	X
ajset-646	184	10	ni(pph	ni(pph	PROPN
ajset-646	184	11	2n	2n	NUM
ajset-646	184	12	ph	ph	PROPN
ajset-646	184	13	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	184	14	)	)	PUNCT
ajset-646	184	15	]	]	PUNCT
ajset-646	184	16	model	model	NOUN
ajset-646	184	17	.	.	PUNCT
ajset-646	185	1	(	(	PUNCT
ajset-646	185	2	i	i	PRON
ajset-646	185	3	’	'	PUNCT
ajset-646	185	4	)	)	PUNCT
ajset-646	185	5	loosely	loosely	ADV
ajset-646	185	6	bound	bind	VERB
ajset-646	185	7	dihydrogen	dihydrogen	NOUN
ajset-646	185	8	[	[	X
ajset-646	185	9	niii	niii	NOUN
ajset-646	185	10	…	…	SYM
ajset-646	185	11	h2	h2	NOUN
ajset-646	185	12	]	]	PUNCT
ajset-646	185	13	2	2	NUM
ajset-646	185	14	+	+	NOUN
ajset-646	185	15	;	;	PUNCT
ajset-646	185	16	(	(	PUNCT
ajset-646	185	17	ii	ii	NOUN
ajset-646	185	18	’	'	PUNCT
ajset-646	185	19	)	)	PUNCT
ajset-646	185	20	strongly	strongly	ADV
ajset-646	185	21	bound	bind	VERB
ajset-646	185	22	dihydrogen	dihydrogen	NOUN
ajset-646	185	23	[	[	X
ajset-646	185	24	niii(h2	niii(h2	NOUN
ajset-646	185	25	)	)	PUNCT
ajset-646	185	26	]	]	PUNCT
ajset-646	185	27	2	2	NUM
ajset-646	185	28	+	+	NOUN
ajset-646	185	29	;	;	PUNCT
ajset-646	185	30	(	(	PUNCT
ajset-646	185	31	iii	iii	NOUN
ajset-646	185	32	’	'	PUNCT
ajset-646	185	33	)	)	PUNCT
ajset-646	185	34	trans	trans	PROPN
ajset-646	185	35	axial	axial	ADJ
ajset-646	185	36	dihydride	dihydride	NOUN
ajset-646	186	1	[	[	X
ajset-646	186	2	niiv(h-)2	niiv(h-)2	X
ajset-646	186	3	]	]	X
ajset-646	186	4	2	2	NUM
ajset-646	186	5	+	+	NUM
ajset-646	186	6	and	and	CCONJ
ajset-646	186	7	(	(	PUNCT
ajset-646	186	8	iv	iv	X
ajset-646	186	9	’	'	PUNCT
ajset-646	186	10	)	)	PUNCT
ajset-646	187	1	[	[	X
ajset-646	187	2	niiv(h¯)2	niiv(h¯)2	X
ajset-646	187	3	]	]	PUNCT
ajset-646	187	4	2	2	NUM
ajset-646	187	5	+	+	NUM
ajset-646	187	6	dihydride	dihydride	ADV
ajset-646	187	7	intermediate	intermediate	ADJ
ajset-646	187	8	.	.	PUNCT
ajset-646	187	9	table	table	NOUN
ajset-646	187	10	2	2	NUM
ajset-646	187	11	:	:	PUNCT
ajset-646	187	12	intermediates	intermediate	NOUN
ajset-646	187	13	of	of	ADP
ajset-646	187	14	the	the	DET
ajset-646	187	15	h2	h2	NOUN
ajset-646	187	16	adduct	adduct	NOUN
ajset-646	187	17	for	for	ADP
ajset-646	187	18	the	the	DET
ajset-646	187	19	[	[	X
ajset-646	187	20	ni(pph	ni(pph	PROPN
ajset-646	187	21	2n	2n	NUM
ajset-646	187	22	ph	ph	PROPN
ajset-646	187	23	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	187	24	)	)	PUNCT
ajset-646	187	25	]	]	PUNCT
ajset-646	187	26	model	model	NOUN
ajset-646	187	27	ordered	order	VERB
ajset-646	187	28	energetically	energetically	ADV
ajset-646	187	29	from	from	ADP
ajset-646	187	30	lowest	low	ADJ
ajset-646	187	31	to	to	ADP
ajset-646	187	32	highest	high	ADJ
ajset-646	187	33	.	.	PUNCT
ajset-646	188	1	[	[	X
ajset-646	188	2	niii	niii	NOUN
ajset-646	188	3	...	...	PUNCT
ajset-646	188	4	h2]2	h2]2	PUNCT
ajset-646	188	5	+	+	X
ajset-646	189	1	[	[	X
ajset-646	189	2	niii(h2)]2	niii(h2)]2	NOUN
ajset-646	189	3	+	+	X
ajset-646	189	4	[	[	X
ajset-646	189	5	niiv(h)2]2	niiv(h)2]2	ADJ
ajset-646	189	6	+	+	X
ajset-646	189	7	[	[	X
ajset-646	189	8	niiv(h)2]2	niiv(h)2]2	ADJ
ajset-646	189	9	+	+	ADJ
ajset-646	189	10	trans	trans	PROPN
ajset-646	189	11	axial	axial	ADJ
ajset-646	189	12	bond	bond	NOUN
ajset-646	189	13	length	length	NOUN
ajset-646	189	14	(	(	PUNCT
ajset-646	189	15	å	å	NOUN
ajset-646	189	16	)	)	PUNCT
ajset-646	189	17	(	(	PUNCT
ajset-646	189	18	i	i	PRON
ajset-646	189	19	’	'	PUNCT
ajset-646	189	20	)	)	PUNCT
ajset-646	189	21	(	(	PUNCT
ajset-646	189	22	ii	ii	NOUN
ajset-646	189	23	’	'	PUNCT
ajset-646	189	24	)	)	PUNCT
ajset-646	189	25	(	(	PUNCT
ajset-646	189	26	iv	iv	X
ajset-646	189	27	’	'	PUNCT
ajset-646	189	28	)	)	PUNCT
ajset-646	189	29	(	(	PUNCT
ajset-646	189	30	iii	iii	NOUN
ajset-646	189	31	’	'	PUNCT
ajset-646	189	32	)	)	PUNCT
ajset-646	189	33	h1	h1	PROPN
ajset-646	189	34	-	-	PUNCT
ajset-646	189	35	--h2	--h2	PROPN
ajset-646	189	36	0.8	0.8	NUM
ajset-646	189	37	0.8	0.8	NUM
ajset-646	189	38	1.9	1.9	NUM
ajset-646	189	39	3.0	3.0	NUM
ajset-646	189	40	ni	ni	PROPN
ajset-646	189	41	---	---	PUNCT
ajset-646	189	42	h1	h1	PROPN
ajset-646	189	43	2.8	2.8	NUM
ajset-646	189	44	1.8	1.8	NUM
ajset-646	189	45	1.5	1.5	NUM
ajset-646	189	46	1.5	1.5	NUM
ajset-646	189	47	n	n	CCONJ
ajset-646	189	48	---	---	PUNCT
ajset-646	189	49	h1	h1	VERB
ajset-646	189	50	2.5	2.5	NUM
ajset-646	189	51	2.5	2.5	NUM
ajset-646	189	52	2.2	2.2	NUM
ajset-646	189	53	2.6	2.6	NUM
ajset-646	189	54	ni	ni	PROPN
ajset-646	189	55	---	---	PUNCT
ajset-646	189	56	ncch3	ncch3	ADJ
ajset-646	189	57	4.8	4.8	NUM
ajset-646	189	58	4.8	4.8	NUM
ajset-646	189	59	5.8	5.8	NUM
ajset-646	189	60	4.6	4.6	NUM
ajset-646	189	61	angle	angle	NOUN
ajset-646	189	62	(	(	PUNCT
ajset-646	189	63	degrees	degree	NOUN
ajset-646	189	64	)	)	PUNCT
ajset-646	189	65	p1	p1	NOUN
ajset-646	189	66	-	-	PUNCT
ajset-646	189	67	--ni	--ni	ADJ
ajset-646	189	68	---	---	PUNCT
ajset-646	189	69	p2	p2	X
ajset-646	189	70	83.5	83.5	NUM
ajset-646	189	71	83.6	83.6	NUM
ajset-646	189	72	84.8	84.8	NUM
ajset-646	189	73	84.1	84.1	NUM
ajset-646	189	74	p3	p3	NOUN
ajset-646	189	75	-	-	PUNCT
ajset-646	189	76	--ni	--ni	ADJ
ajset-646	189	77	---	---	PUNCT
ajset-646	189	78	p4	p4	ADJ
ajset-646	189	79	83.6	83.6	NUM
ajset-646	189	80	83.5	83.5	NUM
ajset-646	189	81	84.8	84.8	NUM
ajset-646	189	82	84.1	84.1	NUM
ajset-646	189	83	p1	p1	NOUN
ajset-646	189	84	-	-	PUNCT
ajset-646	189	85	--ni	--ni	ADJ
ajset-646	189	86	---	---	PUNCT
ajset-646	189	87	p3	p3	PROPN
ajset-646	189	88	171.7	171.7	NUM
ajset-646	189	89	171.7	171.7	NUM
ajset-646	189	90	161.1	161.1	NUM
ajset-646	189	91	150.9	150.9	NUM
ajset-646	189	92	p2	p2	NOUN
ajset-646	189	93	-	-	PUNCT
ajset-646	189	94	--ni	--ni	ADJ
ajset-646	189	95	---	---	PUNCT
ajset-646	189	96	p4	p4	ADJ
ajset-646	189	97	137.8	137.8	NUM
ajset-646	189	98	137.8	137.8	NUM
ajset-646	189	99	109.3	109.3	NUM
ajset-646	189	100	153.4	153.4	NUM
ajset-646	189	101	h1	h1	PROPN
ajset-646	189	102	-	-	PUNCT
ajset-646	189	103	--ni	--ni	ADJ
ajset-646	189	104	---	---	PUNCT
ajset-646	189	105	h2	h2	NOUN
ajset-646	189	106	16.4	16.4	NUM
ajset-646	189	107	25.6	25.6	NUM
ajset-646	189	108	81.4	81.4	NUM
ajset-646	189	109	180.0	180.0	NUM
ajset-646	189	110	)	)	PUNCT
ajset-646	189	111	ii	ii	PROPN
ajset-646	189	112	'	'	PART
ajset-646	189	113	(	(	PUNCT
ajset-646	189	114	)	)	PUNCT
ajset-646	189	115	iii	iii	NOUN
ajset-646	189	116	’	'	PUNCT
ajset-646	189	117	(	(	PUNCT
ajset-646	189	118	iv	iv	X
ajset-646	189	119	’	'	PUNCT
ajset-646	189	120	(	(	PUNCT
ajset-646	189	121	)	)	PUNCT
ajset-646	189	122	(	(	PUNCT
ajset-646	189	123	i	i	PRON
ajset-646	189	124	'	'	PUNCT
ajset-646	189	125	)	)	PUNCT
ajset-646	189	126	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	189	127	academic	academic	ADJ
ajset-646	189	128	journal	journal	NOUN
ajset-646	189	129	of	of	ADP
ajset-646	189	130	science	science	NOUN
ajset-646	189	131	,	,	PUNCT
ajset-646	189	132	engineering	engineering	NOUN
ajset-646	189	133	and	and	CCONJ
ajset-646	189	134	technology	technology	NOUN
ajset-646	189	135	vol.6	vol.6	PROPN
ajset-646	189	136	,	,	PUNCT
ajset-646	189	137	issue	issue	NOUN
ajset-646	189	138	5	5	NUM
ajset-646	189	139	;	;	PUNCT
ajset-646	189	140	september	september	PROPN
ajset-646	189	141	october	october	PROPN
ajset-646	189	142	2021	2021	NUM
ajset-646	189	143	;	;	PUNCT
ajset-646	189	144	1252	1252	NUM
ajset-646	189	145	columbia	columbia	PROPN
ajset-646	189	146	rd	rd	PROPN
ajset-646	189	147	nw	nw	PROPN
ajset-646	189	148	,	,	PUNCT
ajset-646	189	149	washington	washington	PROPN
ajset-646	189	150	dc	dc	PROPN
ajset-646	189	151	,	,	PUNCT
ajset-646	189	152	united	united	PROPN
ajset-646	189	153	states	states	PROPN
ajset-646	189	154	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	189	155	;	;	PUNCT
ajset-646	189	156	mail	mail	NOUN
ajset-646	189	157	:	:	PUNCT
ajset-646	189	158	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	190	1	10	10	NUM
ajset-646	190	2	|	|	ADV
ajset-646	190	3	a	a	DET
ajset-646	190	4	c	c	NOUN
ajset-646	190	5	a	a	PRON
ajset-646	190	6	d	d	X
ajset-646	190	7	e	e	NOUN
ajset-646	190	8	m	m	NOUN
ajset-646	190	9	i	i	NOUN
ajset-646	190	10	c	c	NOUN
ajset-646	190	11	j	j	NOUN
ajset-646	190	12	o	o	X
ajset-646	190	13	u	u	NOUN
ajset-646	190	14	r	r	NOUN
ajset-646	190	15	n	n	NOUN
ajset-646	190	16	a	a	DET
ajset-646	190	17	l	l	NOUN
ajset-646	191	1	o	o	X
ajset-646	191	2	f	f	X
ajset-646	191	3	s	s	X
ajset-646	191	4	c	c	NOUN
ajset-646	192	1	i	i	NOUN
ajset-646	192	2	e	e	PROPN
ajset-646	192	3	n	n	PROPN
ajset-646	192	4	c	c	NOUN
ajset-646	192	5	e	e	X
ajset-646	192	6	,	,	PUNCT
ajset-646	192	7	e	e	PROPN
ajset-646	192	8	n	n	PRON
ajset-646	192	9	g	g	NOUN
ajset-646	192	10	i	i	PRON
ajset-646	192	11	n	n	VERB
ajset-646	192	12	e	e	NOUN
ajset-646	192	13	e	e	NOUN
ajset-646	192	14	r	r	VERB
ajset-646	192	15	i	i	PRON
ajset-646	192	16	n	n	CCONJ
ajset-646	192	17	g	g	PROPN
ajset-646	192	18	a	a	DET
ajset-646	192	19	n	n	NOUN
ajset-646	192	20	d	d	NOUN
ajset-646	192	21	t	t	NOUN
ajset-646	192	22	e	e	X
ajset-646	192	23	c	c	NOUN
ajset-646	192	24	h	h	NOUN
ajset-646	192	25	n	n	ADV
ajset-646	192	26	o	o	NOUN
ajset-646	192	27	l	l	NOUN
ajset-646	193	1	o	o	X
ajset-646	193	2	g	g	NOUN
ajset-646	193	3	y	y	PROPN
ajset-646	193	4	|	|	ADV
ajset-646	193	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	193	6	p2	p2	NOUN
ajset-646	193	7	-	-	PUNCT
ajset-646	193	8	--ni	--ni	ADJ
ajset-646	193	9	---	---	PUNCT
ajset-646	193	10	p3	p3	PROPN
ajset-646	193	11	99.6	99.6	NUM
ajset-646	193	12	99.3	99.3	NUM
ajset-646	193	13	106.3	106.3	NUM
ajset-646	193	14	102.6	102.6	NUM
ajset-646	193	15	p1	p1	NOUN
ajset-646	193	16	-	-	PUNCT
ajset-646	193	17	--ni	--ni	ADJ
ajset-646	193	18	---	---	PUNCT
ajset-646	193	19	p4	p4	ADJ
ajset-646	193	20	99.3	99.3	NUM
ajset-646	193	21	99.6	99.6	NUM
ajset-646	193	22	106.3	106.3	NUM
ajset-646	193	23	102.6	102.6	NUM
ajset-646	193	24	the	the	DET
ajset-646	193	25	stability	stability	NOUN
ajset-646	193	26	of	of	ADP
ajset-646	193	27	these	these	DET
ajset-646	193	28	h2	h2	NOUN
ajset-646	193	29	adduct	adduct	NOUN
ajset-646	193	30	intermediates	intermediate	NOUN
ajset-646	193	31	,	,	PUNCT
ajset-646	193	32	as	as	SCONJ
ajset-646	193	33	confirmed	confirm	VERB
ajset-646	193	34	by	by	ADP
ajset-646	193	35	gas	gas	NOUN
ajset-646	193	36	phase	phase	NOUN
ajset-646	193	37	frequency	frequency	NOUN
ajset-646	193	38	calculations	calculation	NOUN
ajset-646	193	39	,	,	PUNCT
ajset-646	193	40	may	may	AUX
ajset-646	193	41	offer	offer	VERB
ajset-646	193	42	insight	insight	NOUN
ajset-646	193	43	into	into	ADP
ajset-646	193	44	the	the	DET
ajset-646	193	45	nature	nature	NOUN
ajset-646	193	46	of	of	ADP
ajset-646	193	47	the	the	DET
ajset-646	193	48	transition	transition	NOUN
ajset-646	193	49	state	state	NOUN
ajset-646	193	50	needed	need	VERB
ajset-646	193	51	to	to	PART
ajset-646	193	52	reach	reach	VERB
ajset-646	193	53	the	the	DET
ajset-646	193	54	type	type	NOUN
ajset-646	193	55	-	-	PUNCT
ajset-646	193	56	i	i	NOUN
ajset-646	193	57	or	or	CCONJ
ajset-646	193	58	type	type	NOUN
ajset-646	193	59	-	-	PUNCT
ajset-646	193	60	ii	ii	NOUN
ajset-646	193	61	h2	h2	NOUN
ajset-646	193	62	bond	bond	NOUN
ajset-646	193	63	cleaved	cleave	VERB
ajset-646	193	64	intermediate	intermediate	ADJ
ajset-646	193	65	.	.	PUNCT
ajset-646	194	1	fig	fig	NOUN
ajset-646	194	2	.	.	PUNCT
ajset-646	195	1	6	6	X
ajset-646	195	2	.	.	X
ajset-646	195	3	energetics	energetic	NOUN
ajset-646	195	4	of	of	ADP
ajset-646	195	5	the	the	DET
ajset-646	195	6	h2	h2	NOUN
ajset-646	195	7	adduct	adduct	NOUN
ajset-646	195	8	with	with	ADP
ajset-646	195	9	respect	respect	NOUN
ajset-646	195	10	to	to	ADP
ajset-646	195	11	the	the	DET
ajset-646	195	12	type	type	NOUN
ajset-646	195	13	-	-	PUNCT
ajset-646	195	14	i	i	NOUN
ajset-646	195	15	and	and	CCONJ
ajset-646	195	16	type	type	NOUN
ajset-646	195	17	-	-	PUNCT
ajset-646	195	18	ii	ii	NOUN
ajset-646	195	19	h2	h2	NOUN
ajset-646	195	20	bond	bond	NOUN
ajset-646	195	21	cleaved	cleaved	ADJ
ajset-646	195	22	intermediates	intermediate	NOUN
ajset-646	195	23	.	.	PUNCT
ajset-646	196	1	energy	energy	NOUN
ajset-646	196	2	differences	difference	NOUN
ajset-646	196	3	are	be	AUX
ajset-646	196	4	taken	take	VERB
ajset-646	196	5	with	with	ADP
ajset-646	196	6	respect	respect	NOUN
ajset-646	196	7	to	to	ADP
ajset-646	196	8	the	the	DET
ajset-646	196	9	free	free	ADJ
ajset-646	196	10	catalyst	catalyst	NOUN
ajset-646	196	11	and	and	CCONJ
ajset-646	196	12	h2	h2	NOUN
ajset-646	196	13	.	.	PUNCT
ajset-646	197	1	2	2	X
ajset-646	197	2	.	.	X
ajset-646	197	3	thermal	thermal	ADJ
ajset-646	197	4	reaction	reaction	NOUN
ajset-646	197	5	common	common	ADJ
ajset-646	197	6	to	to	ADP
ajset-646	197	7	all	all	DET
ajset-646	197	8	mechanistic	mechanistic	ADJ
ajset-646	197	9	routes	route	NOUN
ajset-646	197	10	–	–	PUNCT
ajset-646	197	11	intermediates	intermediate	NOUN
ajset-646	197	12	and	and	CCONJ
ajset-646	197	13	transition	transition	NOUN
ajset-646	197	14	states	state	VERB
ajset-646	197	15	the	the	DET
ajset-646	197	16	second	second	ADJ
ajset-646	197	17	non	non	ADJ
ajset-646	197	18	-	-	ADJ
ajset-646	197	19	electrochemical	electrochemical	ADJ
ajset-646	197	20	reaction	reaction	NOUN
ajset-646	197	21	along	along	ADP
ajset-646	197	22	the	the	DET
ajset-646	197	23	h2	h2	NOUN
ajset-646	197	24	production	production	NOUN
ajset-646	197	25	mechanistic	mechanistic	ADJ
ajset-646	197	26	route	route	NOUN
ajset-646	197	27	is	be	AUX
ajset-646	197	28	an	an	DET
ajset-646	197	29	oxidative	oxidative	ADJ
ajset-646	197	30	addition	addition	NOUN
ajset-646	197	31	involving	involve	VERB
ajset-646	197	32	intermediates	intermediate	NOUN
ajset-646	197	33	5	5	NUM
ajset-646	197	34	→	→	SYM
ajset-646	197	35	4	4	NUM
ajset-646	197	36	of	of	ADP
ajset-646	197	37	fig	fig	NOUN
ajset-646	197	38	.	.	PUNCT
ajset-646	198	1	3	3	NUM
ajset-646	198	2	,	,	PUNCT
ajset-646	198	3	the	the	DET
ajset-646	198	4	reverse	reverse	NOUN
ajset-646	198	5	of	of	ADP
ajset-646	198	6	which	which	PRON
ajset-646	198	7	is	be	AUX
ajset-646	198	8	considered	consider	VERB
ajset-646	198	9	a	a	DET
ajset-646	198	10	reductive	reductive	ADJ
ajset-646	198	11	elimination	elimination	NOUN
ajset-646	198	12	.	.	PUNCT
ajset-646	199	1	in	in	ADP
ajset-646	199	2	an	an	DET
ajset-646	199	3	optimal	optimal	ADJ
ajset-646	199	4	catalyst	catalyst	NOUN
ajset-646	199	5	,	,	PUNCT
ajset-646	199	6	the	the	DET
ajset-646	199	7	freeenergy	freeenergy	NOUN
ajset-646	199	8	for	for	ADP
ajset-646	199	9	this	this	DET
ajset-646	199	10	step	step	NOUN
ajset-646	199	11	should	should	AUX
ajset-646	199	12	be	be	AUX
ajset-646	199	13	nearly	nearly	ADV
ajset-646	199	14	isoenergetic	isoenergetic	ADJ
ajset-646	199	15	(	(	PUNCT
ajset-646	199	16	i.e.	i.e.	X
ajset-646	199	17	∆g	∆g	PROPN
ajset-646	199	18	0	0	NUM
ajset-646	199	19	)	)	PUNCT
ajset-646	199	20	and	and	CCONJ
ajset-646	199	21	the	the	DET
ajset-646	199	22	free	free	ADJ
ajset-646	199	23	-	-	PUNCT
ajset-646	199	24	energy	energy	NOUN
ajset-646	199	25	of	of	ADP
ajset-646	199	26	activation	activation	NOUN
ajset-646	199	27	(	(	PUNCT
ajset-646	199	28	∆g	∆g	PROPN
ajset-646	199	29	)	)	PUNCT
ajset-646	199	30	should	should	AUX
ajset-646	199	31	be	be	AUX
ajset-646	199	32	low	low	ADJ
ajset-646	199	33	.	.	PUNCT
ajset-646	200	1	we	we	PRON
ajset-646	200	2	calculate	calculate	VERB
ajset-646	200	3	the	the	DET
ajset-646	200	4	transition	transition	NOUN
ajset-646	200	5	state	state	NOUN
ajset-646	200	6	at	at	ADP
ajset-646	200	7	this	this	DET
ajset-646	200	8	reaction	reaction	NOUN
ajset-646	200	9	step	step	NOUN
ajset-646	200	10	to	to	PART
ajset-646	200	11	understand	understand	VERB
ajset-646	200	12	the	the	DET
ajset-646	200	13	structure	structure	NOUN
ajset-646	200	14	and	and	CCONJ
ajset-646	200	15	energetics	energetic	NOUN
ajset-646	200	16	of	of	ADP
ajset-646	200	17	the	the	DET
ajset-646	200	18	reacting	react	VERB
ajset-646	200	19	species	specie	NOUN
ajset-646	200	20	.	.	PUNCT
ajset-646	201	1	fig	fig	NOUN
ajset-646	201	2	.	.	PUNCT
ajset-646	202	1	7	7	NUM
ajset-646	202	2	shows	show	VERB
ajset-646	202	3	the	the	DET
ajset-646	202	4	structures	structure	NOUN
ajset-646	202	5	of	of	ADP
ajset-646	202	6	the	the	DET
ajset-646	202	7	transition	transition	NOUN
ajset-646	202	8	states	state	NOUN
ajset-646	202	9	characterized	characterize	VERB
ajset-646	202	10	by	by	ADP
ajset-646	202	11	the	the	DET
ajset-646	202	12	negative	negative	ADJ
ajset-646	202	13	eigenvalue	eigenvalue	NOUN
ajset-646	202	14	of	of	ADP
ajset-646	202	15	the	the	DET
ajset-646	202	16	hessian	hessian	ADJ
ajset-646	202	17	matrix	matrix	NOUN
ajset-646	202	18	along	along	ADP
ajset-646	202	19	the	the	DET
ajset-646	202	20	donor	donor	NOUN
ajset-646	202	21	/	/	SYM
ajset-646	202	22	acceptor	acceptor	NOUN
ajset-646	202	23	mode	mode	NOUN
ajset-646	202	24	between	between	ADP
ajset-646	202	25	the	the	DET
ajset-646	202	26	metal	metal	NOUN
ajset-646	202	27	center	center	NOUN
ajset-646	202	28	and	and	CCONJ
ajset-646	202	29	the	the	DET
ajset-646	202	30	nitrogen	nitrogen	NOUN
ajset-646	202	31	base	base	NOUN
ajset-646	202	32	site	site	NOUN
ajset-646	202	33	of	of	ADP
ajset-646	202	34	compounds	compound	NOUN
ajset-646	202	35	a	a	PRON
ajset-646	202	36	and	and	CCONJ
ajset-646	202	37	b.	b.	PROPN
ajset-646	202	38	distances	distance	NOUN
ajset-646	202	39	and	and	CCONJ
ajset-646	202	40	angles	angle	NOUN
ajset-646	202	41	of	of	ADP
ajset-646	202	42	the	the	DET
ajset-646	202	43	reacting	react	VERB
ajset-646	202	44	species	specie	NOUN
ajset-646	202	45	are	be	AUX
ajset-646	202	46	shown	show	VERB
ajset-646	202	47	in	in	ADP
ajset-646	202	48	table	table	NOUN
ajset-646	202	49	3	3	NUM
ajset-646	202	50	for	for	ADP
ajset-646	202	51	the	the	DET
ajset-646	202	52	[	[	X
ajset-646	202	53	ni(pph	ni(pph	PROPN
ajset-646	202	54	2n	2n	NUM
ajset-646	202	55	ph	ph	PROPN
ajset-646	202	56	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	202	57	)	)	PUNCT
ajset-646	202	58	]	]	PUNCT
ajset-646	202	59	model	model	NOUN
ajset-646	202	60	and	and	CCONJ
ajset-646	202	61	table	table	NOUN
ajset-646	202	62	4	4	NUM
ajset-646	202	63	for	for	ADP
ajset-646	202	64	the	the	DET
ajset-646	202	65	[	[	NOUN
ajset-646	202	66	ni(pcy	ni(pcy	ADJ
ajset-646	202	67	2n	2n	ADJ
ajset-646	202	68	bz	bz	PROPN
ajset-646	202	69	2)2	2)2	NUM
ajset-646	202	70	]	]	PUNCT
ajset-646	202	71	model	model	NOUN
ajset-646	202	72	.	.	PUNCT
ajset-646	203	1	the	the	DET
ajset-646	203	2	tables	table	NOUN
ajset-646	203	3	show	show	VERB
ajset-646	203	4	that	that	SCONJ
ajset-646	203	5	the	the	DET
ajset-646	203	6	transferring	transferring	NOUN
ajset-646	203	7	proton	proton	NOUN
ajset-646	203	8	is	be	AUX
ajset-646	203	9	approximately	approximately	ADV
ajset-646	203	10	midway	midway	ADV
ajset-646	203	11	between	between	ADP
ajset-646	203	12	the	the	DET
ajset-646	203	13	donor	donor	NOUN
ajset-646	203	14	atom	atom	NOUN
ajset-646	203	15	(	(	PUNCT
ajset-646	203	16	ni	ni	NOUN
ajset-646	203	17	)	)	PUNCT
ajset-646	203	18	and	and	CCONJ
ajset-646	203	19	the	the	DET
ajset-646	203	20	acceptor	acceptor	NOUN
ajset-646	203	21	atom	atom	NOUN
ajset-646	203	22	(	(	PUNCT
ajset-646	203	23	n	n	CCONJ
ajset-646	203	24	)	)	PUNCT
ajset-646	203	25	for	for	ADP
ajset-646	203	26	both	both	DET
ajset-646	203	27	compounds	compound	NOUN
ajset-646	203	28	.	.	PUNCT
ajset-646	204	1	a	a	DET
ajset-646	204	2	b	b	PROPN
ajset-646	204	3	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	204	4	academic	academic	ADJ
ajset-646	204	5	journal	journal	NOUN
ajset-646	204	6	of	of	ADP
ajset-646	204	7	science	science	NOUN
ajset-646	204	8	,	,	PUNCT
ajset-646	204	9	engineering	engineering	NOUN
ajset-646	204	10	and	and	CCONJ
ajset-646	204	11	technology	technology	NOUN
ajset-646	204	12	vol.6	vol.6	PROPN
ajset-646	204	13	,	,	PUNCT
ajset-646	204	14	issue	issue	NOUN
ajset-646	204	15	5	5	NUM
ajset-646	204	16	;	;	PUNCT
ajset-646	204	17	september	september	PROPN
ajset-646	204	18	october	october	PROPN
ajset-646	204	19	2021	2021	NUM
ajset-646	204	20	;	;	PUNCT
ajset-646	204	21	1252	1252	NUM
ajset-646	204	22	columbia	columbia	PROPN
ajset-646	204	23	rd	rd	PROPN
ajset-646	204	24	nw	nw	PROPN
ajset-646	204	25	,	,	PUNCT
ajset-646	204	26	washington	washington	PROPN
ajset-646	204	27	dc	dc	PROPN
ajset-646	204	28	,	,	PUNCT
ajset-646	204	29	united	united	PROPN
ajset-646	204	30	states	states	PROPN
ajset-646	204	31	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	204	32	;	;	PUNCT
ajset-646	204	33	mail	mail	NOUN
ajset-646	204	34	:	:	PUNCT
ajset-646	204	35	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	205	1	11	11	NUM
ajset-646	206	1	|	|	ADV
ajset-646	206	2	a	a	DET
ajset-646	206	3	c	c	NOUN
ajset-646	206	4	a	a	PRON
ajset-646	206	5	d	d	X
ajset-646	206	6	e	e	NOUN
ajset-646	206	7	m	m	NOUN
ajset-646	206	8	i	i	NOUN
ajset-646	206	9	c	c	NOUN
ajset-646	206	10	j	j	NOUN
ajset-646	206	11	o	o	X
ajset-646	206	12	u	u	NOUN
ajset-646	206	13	r	r	NOUN
ajset-646	206	14	n	n	NOUN
ajset-646	206	15	a	a	DET
ajset-646	206	16	l	l	NOUN
ajset-646	207	1	o	o	X
ajset-646	207	2	f	f	X
ajset-646	207	3	s	s	X
ajset-646	207	4	c	c	NOUN
ajset-646	208	1	i	i	NOUN
ajset-646	208	2	e	e	PROPN
ajset-646	208	3	n	n	PROPN
ajset-646	208	4	c	c	NOUN
ajset-646	208	5	e	e	X
ajset-646	208	6	,	,	PUNCT
ajset-646	208	7	e	e	PROPN
ajset-646	208	8	n	n	PRON
ajset-646	208	9	g	g	NOUN
ajset-646	208	10	i	i	PRON
ajset-646	208	11	n	n	VERB
ajset-646	208	12	e	e	NOUN
ajset-646	208	13	e	e	NOUN
ajset-646	208	14	r	r	VERB
ajset-646	208	15	i	i	PRON
ajset-646	208	16	n	n	CCONJ
ajset-646	208	17	g	g	PROPN
ajset-646	208	18	a	a	DET
ajset-646	208	19	n	n	NOUN
ajset-646	208	20	d	d	NOUN
ajset-646	208	21	t	t	NOUN
ajset-646	208	22	e	e	X
ajset-646	208	23	c	c	NOUN
ajset-646	208	24	h	h	NOUN
ajset-646	208	25	n	n	ADV
ajset-646	208	26	o	o	NOUN
ajset-646	208	27	l	l	NOUN
ajset-646	209	1	o	o	X
ajset-646	209	2	g	g	NOUN
ajset-646	209	3	y	y	PROPN
ajset-646	209	4	|	|	ADV
ajset-646	209	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	209	6	fig	fig	NOUN
ajset-646	209	7	.	.	PUNCT
ajset-646	210	1	7	7	X
ajset-646	210	2	.	.	X
ajset-646	210	3	oxidative	oxidative	ADJ
ajset-646	210	4	addition	addition	NOUN
ajset-646	210	5	transition	transition	NOUN
ajset-646	210	6	state	state	NOUN
ajset-646	210	7	,	,	PUNCT
ajset-646	210	8	between	between	ADP
ajset-646	210	9	intermediates	intermediate	NOUN
ajset-646	210	10	5	5	NUM
ajset-646	210	11	→	→	SYM
ajset-646	210	12	4	4	NUM
ajset-646	210	13	,	,	PUNCT
ajset-646	210	14	for	for	ADP
ajset-646	210	15	compound	compound	NOUN
ajset-646	210	16	a	a	PRON
ajset-646	210	17	,	,	PUNCT
ajset-646	210	18	[	[	X
ajset-646	210	19	ni(pph	ni(pph	PROPN
ajset-646	210	20	2n	2n	NUM
ajset-646	210	21	ph	ph	PROPN
ajset-646	210	22	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	210	23	)	)	PUNCT
ajset-646	210	24	]	]	PUNCT
ajset-646	210	25	model	model	NOUN
ajset-646	210	26	and	and	CCONJ
ajset-646	210	27	compound	compound	NOUN
ajset-646	210	28	b	b	PROPN
ajset-646	210	29	,	,	PUNCT
ajset-646	210	30	[	[	X
ajset-646	210	31	ni(pcy	ni(pcy	ADJ
ajset-646	210	32	2n	2n	ADJ
ajset-646	210	33	bz	bz	PROPN
ajset-646	210	34	2)2	2)2	NUM
ajset-646	210	35	]	]	PUNCT
ajset-646	210	36	model	model	NOUN
ajset-646	210	37	.	.	PUNCT
ajset-646	211	1	the	the	DET
ajset-646	211	2	transferring	transferring	NOUN
ajset-646	211	3	proton	proton	NOUN
ajset-646	211	4	is	be	AUX
ajset-646	211	5	midway	midway	NOUN
ajset-646	211	6	between	between	ADP
ajset-646	211	7	the	the	DET
ajset-646	211	8	donor	donor	NOUN
ajset-646	211	9	atom	atom	NOUN
ajset-646	211	10	(	(	PUNCT
ajset-646	211	11	ni	ni	NOUN
ajset-646	211	12	)	)	PUNCT
ajset-646	211	13	and	and	CCONJ
ajset-646	211	14	acceptor	acceptor	NOUN
ajset-646	211	15	atom	atom	NOUN
ajset-646	211	16	(	(	PUNCT
ajset-646	211	17	n	n	CCONJ
ajset-646	211	18	)	)	PUNCT
ajset-646	211	19	.	.	PUNCT
ajset-646	212	1	table	table	NOUN
ajset-646	212	2	3	3	NUM
ajset-646	212	3	oxidative	oxidative	ADJ
ajset-646	212	4	addition	addition	NOUN
ajset-646	212	5	5	5	NUM
ajset-646	212	6	→	→	SYM
ajset-646	212	7	4	4	NUM
ajset-646	212	8	in	in	ADP
ajset-646	212	9	the	the	DET
ajset-646	212	10	[	[	X
ajset-646	212	11	ni(pph	ni(pph	PROPN
ajset-646	212	12	2n	2n	NUM
ajset-646	212	13	ph	ph	PROPN
ajset-646	212	14	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	212	15	)	)	PUNCT
ajset-646	212	16	]	]	PUNCT
ajset-646	212	17	model	model	NOUN
ajset-646	212	18	for	for	ADP
ajset-646	212	19	h2	h2	NOUN
ajset-646	212	20	production	production	NOUN
ajset-646	212	21	.	.	PUNCT
ajset-646	213	1	intermediate	intermediate	ADJ
ajset-646	213	2	(	(	PUNCT
ajset-646	213	3	4	4	NUM
ajset-646	213	4	)	)	PUNCT
ajset-646	213	5	transition	transition	NOUN
ajset-646	213	6	state	state	NOUN
ajset-646	213	7	intermediate	intermediate	ADJ
ajset-646	213	8	(	(	PUNCT
ajset-646	213	9	5	5	NUM
ajset-646	213	10	)	)	PUNCT
ajset-646	213	11	bond	bond	NOUN
ajset-646	213	12	length	length	NOUN
ajset-646	213	13	(	(	PUNCT
ajset-646	213	14	å	å	NOUN
ajset-646	213	15	)	)	PUNCT
ajset-646	213	16	p	p	NOUN
ajset-646	213	17	ts	ts	ADP
ajset-646	213	18	r	r	PROPN
ajset-646	213	19	ni	ni	PROPN
ajset-646	213	20	---	---	PUNCT
ajset-646	213	21	h1	h1	PROPN
ajset-646	213	22	1.46	1.46	NUM
ajset-646	213	23	1.67	1.67	NUM
ajset-646	213	24	2.86	2.86	NUM
ajset-646	213	25	n	n	CCONJ
ajset-646	213	26	---	---	PUNCT
ajset-646	213	27	h1	h1	PROPN
ajset-646	213	28	2.31	2.31	NUM
ajset-646	213	29	1.46	1.46	NUM
ajset-646	213	30	1.03	1.03	NUM
ajset-646	213	31	ni	ni	PROPN
ajset-646	213	32	---	---	PUNCT
ajset-646	213	33	ncch3	ncch3	ADJ
ajset-646	213	34	5.78	5.78	NUM
ajset-646	213	35	5.75	5.75	NUM
ajset-646	213	36	5.47	5.47	NUM
ajset-646	213	37	frequency	frequency	NOUN
ajset-646	213	38	of	of	ADP
ajset-646	213	39	ni	ni	PROPN
ajset-646	213	40	—	—	PROPN
ajset-646	213	41	h	h	NOUN
ajset-646	213	42	—	—	PUNCT
ajset-646	213	43	n	n	PRON
ajset-646	213	44	mode	mode	NOUN
ajset-646	213	45	(	(	PUNCT
ajset-646	213	46	cm-1	cm-1	PROPN
ajset-646	213	47	)	)	PUNCT
ajset-646	213	48	--	--	PUNCT
ajset-646	213	49	921.01i	921.01i	X
ajset-646	213	50	--	--	PUNCT
ajset-646	213	51	angle	angle	NOUN
ajset-646	213	52	(	(	PUNCT
ajset-646	213	53	degrees	degree	NOUN
ajset-646	213	54	)	)	PUNCT
ajset-646	213	55	p1	p1	NOUN
ajset-646	213	56	-	-	PUNCT
ajset-646	213	57	--ni	--ni	ADJ
ajset-646	213	58	---	---	PUNCT
ajset-646	213	59	p2	p2	PROPN
ajset-646	213	60	86.07	86.07	NUM
ajset-646	213	61	82.52	82.52	NUM
ajset-646	213	62	85.51	85.51	NUM
ajset-646	213	63	p3	p3	NOUN
ajset-646	213	64	-	-	PUNCT
ajset-646	213	65	--ni	--ni	ADJ
ajset-646	213	66	---	---	PUNCT
ajset-646	213	67	p4	p4	ADJ
ajset-646	213	68	83.54	83.54	NUM
ajset-646	213	69	82.92	82.92	NUM
ajset-646	213	70	86.44	86.44	NUM
ajset-646	213	71	p1	p1	NOUN
ajset-646	213	72	-	-	PUNCT
ajset-646	213	73	--ni	--ni	ADJ
ajset-646	213	74	---	---	PUNCT
ajset-646	213	75	p3	p3	NOUN
ajset-646	213	76	159.78	159.78	NUM
ajset-646	213	77	157.99	157.99	NUM
ajset-646	213	78	145.20	145.20	NUM
ajset-646	213	79	p2	p2	NOUN
ajset-646	213	80	-	-	PUNCT
ajset-646	213	81	--ni	--ni	ADJ
ajset-646	213	82	---	---	PUNCT
ajset-646	213	83	p4	p4	ADJ
ajset-646	213	84	109.77	109.77	NUM
ajset-646	213	85	112.92	112.92	NUM
ajset-646	213	86	121.54	121.54	NUM
ajset-646	213	87	p2	p2	NOUN
ajset-646	213	88	-	-	PUNCT
ajset-646	213	89	--ni	--ni	ADJ
ajset-646	213	90	---	---	PUNCT
ajset-646	213	91	p3	p3	NOUN
ajset-646	213	92	107.39	107.39	NUM
ajset-646	213	93	105.56	105.56	NUM
ajset-646	213	94	111.98	111.98	NUM
ajset-646	213	95	p1	p1	NOUN
ajset-646	213	96	-	-	PUNCT
ajset-646	213	97	--ni	--ni	ADJ
ajset-646	213	98	---	---	PUNCT
ajset-646	213	99	p4	p4	ADJ
ajset-646	213	100	106.49	106.49	NUM
ajset-646	213	101	106.54	106.54	NUM
ajset-646	213	102	110.48	110.48	NUM
ajset-646	213	103	∆go	∆go	NOUN
ajset-646	213	104	s	s	PART
ajset-646	213	105	(	(	PUNCT
ajset-646	213	106	r	r	NOUN
ajset-646	213	107	&	&	CCONJ
ajset-646	213	108	p	p	NOUN
ajset-646	213	109	)	)	PUNCT
ajset-646	213	110	(	(	PUNCT
ajset-646	213	111	ev	ev	INTJ
ajset-646	213	112	)	)	PUNCT
ajset-646	213	113	∆g	∆g	PROPN
ajset-646	213	114	(	(	PUNCT
ajset-646	213	115	ts	ts	NOUN
ajset-646	213	116	)	)	PUNCT
ajset-646	213	117	(	(	PUNCT
ajset-646	213	118	ev	ev	NOUN
ajset-646	213	119	)	)	PUNCT
ajset-646	213	120	relative	relative	ADJ
ajset-646	213	121	to	to	ADP
ajset-646	213	122	reactant	reactant	NOUN
ajset-646	213	123	0.32	0.32	NUM
ajset-646	213	124	0.60	0.60	NUM
ajset-646	213	125	0.00	0.00	NUM
ajset-646	213	126	in	in	ADP
ajset-646	213	127	the	the	DET
ajset-646	213	128	[	[	X
ajset-646	213	129	ni(pph	ni(pph	PROPN
ajset-646	213	130	2n	2n	NUM
ajset-646	213	131	ph	ph	PROPN
ajset-646	213	132	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	213	133	)	)	PUNCT
ajset-646	213	134	]	]	PUNCT
ajset-646	213	135	model	model	NOUN
ajset-646	213	136	,	,	PUNCT
ajset-646	213	137	the	the	DET
ajset-646	213	138	flexibility	flexibility	NOUN
ajset-646	213	139	of	of	ADP
ajset-646	213	140	the	the	DET
ajset-646	213	141	boat	boat	NOUN
ajset-646	213	142	/	/	SYM
ajset-646	213	143	chair	chair	NOUN
ajset-646	213	144	configuration	configuration	NOUN
ajset-646	213	145	allows	allow	VERB
ajset-646	213	146	for	for	ADP
ajset-646	213	147	large	large	ADJ
ajset-646	213	148	rearrangements	rearrangement	NOUN
ajset-646	213	149	of	of	ADP
ajset-646	213	150	the	the	DET
ajset-646	213	151	angles	angle	NOUN
ajset-646	213	152	around	around	ADP
ajset-646	213	153	the	the	DET
ajset-646	213	154	diphosphine	diphosphine	ADJ
ajset-646	213	155	plane	plane	NOUN
ajset-646	213	156	.	.	PUNCT
ajset-646	214	1	for	for	ADP
ajset-646	214	2	example	example	NOUN
ajset-646	214	3	,	,	PUNCT
ajset-646	214	4	the	the	DET
ajset-646	214	5	p1	p1	NOUN
ajset-646	214	6	-	-	PUNCT
ajset-646	214	7	--ni	--ni	ADJ
ajset-646	214	8	---	---	PUNCT
ajset-646	214	9	p3	p3	NOUN
ajset-646	214	10	and	and	CCONJ
ajset-646	214	11	p2	p2	NOUN
ajset-646	214	12	-	-	PUNCT
ajset-646	214	13	--ni	--ni	ADJ
ajset-646	214	14	---	---	PUNCT
ajset-646	214	15	p4	p4	ADJ
ajset-646	214	16	angles	angle	NOUN
ajset-646	214	17	undergo	undergo	VERB
ajset-646	214	18	the	the	DET
ajset-646	214	19	largest	large	ADJ
ajset-646	214	20	changes	change	NOUN
ajset-646	214	21	between	between	ADP
ajset-646	214	22	the	the	DET
ajset-646	214	23	reactant	reactant	NOUN
ajset-646	214	24	(	(	PUNCT
ajset-646	214	25	r	r	NOUN
ajset-646	214	26	)	)	PUNCT
ajset-646	214	27	,	,	PUNCT
ajset-646	214	28	transition	transition	NOUN
ajset-646	214	29	state	state	NOUN
ajset-646	214	30	(	(	PUNCT
ajset-646	214	31	ts	ts	NOUN
ajset-646	214	32	)	)	PUNCT
ajset-646	214	33	and	and	CCONJ
ajset-646	214	34	product	product	NOUN
ajset-646	214	35	(	(	PUNCT
ajset-646	214	36	p	p	NOUN
ajset-646	214	37	)	)	PUNCT
ajset-646	214	38	configurations	configuration	NOUN
ajset-646	214	39	,	,	PUNCT
ajset-646	214	40	shown	show	VERB
ajset-646	214	41	in	in	ADP
ajset-646	214	42	table	table	NOUN
ajset-646	214	43	3	3	NUM
ajset-646	214	44	.	.	PUNCT
ajset-646	215	1	the	the	DET
ajset-646	215	2	constraint	constraint	NOUN
ajset-646	215	3	of	of	ADP
ajset-646	215	4	the	the	DET
ajset-646	215	5	boat	boat	NOUN
ajset-646	215	6	/	/	SYM
ajset-646	215	7	boat	boat	NOUN
ajset-646	215	8	configuration	configuration	NOUN
ajset-646	215	9	in	in	ADP
ajset-646	215	10	the	the	DET
ajset-646	215	11	[	[	NOUN
ajset-646	215	12	ni(pcy	ni(pcy	ADJ
ajset-646	215	13	2n	2n	ADJ
ajset-646	215	14	bz	bz	PROPN
ajset-646	215	15	2)2	2)2	PROPN
ajset-646	215	16	]	]	PUNCT
ajset-646	215	17	model	model	NOUN
ajset-646	215	18	shows	show	VERB
ajset-646	215	19	much	much	ADV
ajset-646	215	20	less	less	ADJ
ajset-646	215	21	rearrangement	rearrangement	NOUN
ajset-646	215	22	of	of	ADP
ajset-646	215	23	the	the	DET
ajset-646	215	24	angles	angle	NOUN
ajset-646	215	25	between	between	ADP
ajset-646	215	26	the	the	DET
ajset-646	215	27	(	(	PUNCT
ajset-646	215	28	r	r	NOUN
ajset-646	215	29	)	)	PUNCT
ajset-646	215	30	,	,	PUNCT
ajset-646	215	31	(	(	PUNCT
ajset-646	215	32	ts	ts	NOUN
ajset-646	215	33	)	)	PUNCT
ajset-646	215	34	and	and	CCONJ
ajset-646	215	35	(	(	PUNCT
ajset-646	215	36	p	p	NOUN
ajset-646	215	37	)	)	PUNCT
ajset-646	215	38	,	,	PUNCT
ajset-646	215	39	as	as	SCONJ
ajset-646	215	40	seen	see	VERB
ajset-646	215	41	in	in	ADP
ajset-646	215	42	table	table	NOUN
ajset-646	215	43	4	4	NUM
ajset-646	215	44	.	.	PUNCT
ajset-646	215	45	comparing	compare	VERB
ajset-646	215	46	the	the	DET
ajset-646	215	47	transition	transition	NOUN
ajset-646	215	48	states	state	NOUN
ajset-646	215	49	of	of	ADP
ajset-646	215	50	the	the	DET
ajset-646	215	51	two	two	NUM
ajset-646	215	52	compounds	compound	NOUN
ajset-646	215	53	,	,	PUNCT
ajset-646	215	54	table	table	NOUN
ajset-646	215	55	3	3	NUM
ajset-646	215	56	,	,	PUNCT
ajset-646	215	57	shows	show	VERB
ajset-646	215	58	that	that	SCONJ
ajset-646	215	59	the	the	DET
ajset-646	215	60	p	p	X
ajset-646	215	61	---	---	PUNCT
ajset-646	215	62	ni	ni	PROPN
ajset-646	215	63	---	---	PUNCT
ajset-646	215	64	p	p	ADJ
ajset-646	215	65	angles	angle	NOUN
ajset-646	215	66	of	of	ADP
ajset-646	215	67	the	the	DET
ajset-646	215	68	(	(	PUNCT
ajset-646	215	69	ts	ts	NOUN
ajset-646	215	70	)	)	PUNCT
ajset-646	215	71	have	have	VERB
ajset-646	215	72	more	more	ADJ
ajset-646	215	73	product	product	NOUN
ajset-646	215	74	character	character	NOUN
ajset-646	215	75	than	than	ADP
ajset-646	215	76	reactant	reactant	NOUN
ajset-646	215	77	character	character	NOUN
ajset-646	215	78	while	while	SCONJ
ajset-646	215	79	table	table	NOUN
ajset-646	215	80	4	4	NUM
ajset-646	215	81	shows	show	VERB
ajset-646	215	82	the	the	DET
ajset-646	215	83	opposite	opposite	ADJ
ajset-646	215	84	behavior	behavior	NOUN
ajset-646	215	85	for	for	ADP
ajset-646	215	86	the	the	DET
ajset-646	215	87	[	[	NOUN
ajset-646	215	88	ni(pcy	ni(pcy	ADJ
ajset-646	215	89	2n	2n	ADJ
ajset-646	215	90	bz	bz	PROPN
ajset-646	215	91	2)2	2)2	NUM
ajset-646	215	92	]	]	PUNCT
ajset-646	215	93	model	model	NOUN
ajset-646	215	94	.	.	PUNCT
ajset-646	216	1	in	in	ADP
ajset-646	216	2	other	other	ADJ
ajset-646	216	3	words	word	NOUN
ajset-646	216	4	,	,	PUNCT
ajset-646	216	5	both	both	DET
ajset-646	216	6	transition	transition	NOUN
ajset-646	216	7	states	state	NOUN
ajset-646	216	8	have	have	VERB
ajset-646	216	9	diphosphine	diphosphine	ADJ
ajset-646	216	10	bite	bite	NOUN
ajset-646	216	11	angles	angle	NOUN
ajset-646	216	12	similar	similar	ADJ
ajset-646	216	13	to	to	ADP
ajset-646	216	14	intermediate	intermediate	ADJ
ajset-646	216	15	(	(	PUNCT
ajset-646	216	16	4	4	NUM
ajset-646	216	17	)	)	PUNCT
ajset-646	216	18	of	of	ADP
ajset-646	216	19	fig	fig	NOUN
ajset-646	216	20	.	.	PUNCT
ajset-646	217	1	3	3	X
ajset-646	217	2	.	.	X
ajset-646	217	3	this	this	PRON
ajset-646	217	4	implies	imply	VERB
ajset-646	217	5	that	that	SCONJ
ajset-646	217	6	the	the	DET
ajset-646	217	7	barrier	barrier	NOUN
ajset-646	217	8	for	for	ADP
ajset-646	217	9	oxidative	oxidative	ADJ
ajset-646	217	10	addition	addition	NOUN
ajset-646	217	11	will	will	AUX
ajset-646	217	12	be	be	AUX
ajset-646	217	13	higher	high	ADJ
ajset-646	217	14	than	than	ADP
ajset-646	217	15	the	the	DET
ajset-646	217	16	barrier	barrier	NOUN
ajset-646	217	17	for	for	ADP
ajset-646	217	18	reductive	reductive	ADJ
ajset-646	217	19	elimination	elimination	NOUN
ajset-646	217	20	.	.	PUNCT
ajset-646	218	1	given	give	VERB
ajset-646	218	2	nature	nature	NOUN
ajset-646	218	3	of	of	ADP
ajset-646	218	4	the	the	DET
ajset-646	218	5	transition	transition	NOUN
ajset-646	218	6	state	state	NOUN
ajset-646	218	7	structurally	structurally	ADV
ajset-646	218	8	appears	appear	VERB
ajset-646	218	9	to	to	PART
ajset-646	218	10	be	be	AUX
ajset-646	218	11	associated	associate	VERB
ajset-646	218	12	with	with	ADP
ajset-646	218	13	the	the	DET
ajset-646	218	14	bite	bite	NOUN
ajset-646	218	15	angle	angle	NOUN
ajset-646	218	16	and	and	CCONJ
ajset-646	218	17	is	be	AUX
ajset-646	218	18	therefore	therefore	ADV
ajset-646	218	19	impacted	impact	VERB
ajset-646	218	20	by	by	ADP
ajset-646	218	21	the	the	DET
ajset-646	218	22	amount	amount	NOUN
ajset-646	218	23	of	of	ADP
ajset-646	218	24	steric	steric	ADJ
ajset-646	218	25	bulk	bulk	NOUN
ajset-646	218	26	from	from	ADP
ajset-646	218	27	the	the	DET
ajset-646	218	28	ligands	ligand	NOUN
ajset-646	218	29	.	.	PUNCT
ajset-646	219	1	as	as	ADP
ajset-646	219	2	such	such	ADJ
ajset-646	219	3	,	,	PUNCT
ajset-646	219	4	consideration	consideration	NOUN
ajset-646	219	5	should	should	AUX
ajset-646	219	6	be	be	AUX
ajset-646	219	7	given	give	VERB
ajset-646	219	8	to	to	ADP
ajset-646	219	9	designing	design	VERB
ajset-646	219	10	the	the	DET
ajset-646	219	11	catalyst	catalyst	NOUN
ajset-646	219	12	with	with	ADP
ajset-646	219	13	some	some	DET
ajset-646	219	14	flexibility	flexibility	NOUN
ajset-646	219	15	in	in	ADP
ajset-646	219	16	the	the	DET
ajset-646	219	17	first	first	ADJ
ajset-646	219	18	coordination	coordination	NOUN
ajset-646	219	19	shell	shell	NOUN
ajset-646	219	20	to	to	ADP
ajset-646	219	21	the	the	DET
ajset-646	219	22	metal	metal	NOUN
ajset-646	219	23	center	center	NOUN
ajset-646	219	24	.	.	PUNCT
ajset-646	220	1	table	table	NOUN
ajset-646	220	2	4	4	NUM
ajset-646	220	3	:	:	PUNCT
ajset-646	220	4	reductive	reductive	ADJ
ajset-646	220	5	elimination	elimination	NOUN
ajset-646	220	6	4	4	NUM
ajset-646	220	7	→	→	SYM
ajset-646	220	8	5	5	NUM
ajset-646	220	9	in	in	ADP
ajset-646	220	10	the	the	DET
ajset-646	220	11	[	[	NOUN
ajset-646	220	12	ni(pcy	ni(pcy	ADJ
ajset-646	220	13	2n	2n	ADJ
ajset-646	220	14	bz	bz	PROPN
ajset-646	220	15	2)2	2)2	PROPN
ajset-646	220	16	]	]	PUNCT
ajset-646	220	17	model	model	NOUN
ajset-646	220	18	for	for	ADP
ajset-646	220	19	h2	h2	NOUN
ajset-646	220	20	oxidation	oxidation	NOUN
ajset-646	220	21	.	.	PUNCT
ajset-646	221	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	X
ajset-646	221	2	academic	academic	ADJ
ajset-646	221	3	journal	journal	NOUN
ajset-646	221	4	of	of	ADP
ajset-646	221	5	science	science	NOUN
ajset-646	221	6	,	,	PUNCT
ajset-646	221	7	engineering	engineering	NOUN
ajset-646	221	8	and	and	CCONJ
ajset-646	221	9	technology	technology	NOUN
ajset-646	221	10	vol.6	vol.6	PROPN
ajset-646	221	11	,	,	PUNCT
ajset-646	221	12	issue	issue	NOUN
ajset-646	221	13	5	5	NUM
ajset-646	221	14	;	;	PUNCT
ajset-646	221	15	september	september	PROPN
ajset-646	221	16	october	october	PROPN
ajset-646	221	17	2021	2021	NUM
ajset-646	221	18	;	;	PUNCT
ajset-646	221	19	1252	1252	NUM
ajset-646	221	20	columbia	columbia	PROPN
ajset-646	221	21	rd	rd	PROPN
ajset-646	221	22	nw	nw	PROPN
ajset-646	221	23	,	,	PUNCT
ajset-646	221	24	washington	washington	PROPN
ajset-646	221	25	dc	dc	PROPN
ajset-646	221	26	,	,	PUNCT
ajset-646	221	27	united	united	PROPN
ajset-646	221	28	states	states	PROPN
ajset-646	221	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	221	30	;	;	PUNCT
ajset-646	221	31	mail	mail	NOUN
ajset-646	221	32	:	:	PUNCT
ajset-646	221	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	222	1	12	12	NUM
ajset-646	223	1	|	|	ADV
ajset-646	223	2	a	a	DET
ajset-646	223	3	c	c	NOUN
ajset-646	223	4	a	a	PRON
ajset-646	223	5	d	d	X
ajset-646	223	6	e	e	NOUN
ajset-646	223	7	m	m	NOUN
ajset-646	223	8	i	i	NOUN
ajset-646	223	9	c	c	NOUN
ajset-646	223	10	j	j	NOUN
ajset-646	223	11	o	o	X
ajset-646	223	12	u	u	NOUN
ajset-646	223	13	r	r	NOUN
ajset-646	223	14	n	n	NOUN
ajset-646	223	15	a	a	DET
ajset-646	223	16	l	l	NOUN
ajset-646	224	1	o	o	X
ajset-646	224	2	f	f	X
ajset-646	224	3	s	s	X
ajset-646	224	4	c	c	NOUN
ajset-646	225	1	i	i	NOUN
ajset-646	225	2	e	e	PROPN
ajset-646	225	3	n	n	PROPN
ajset-646	225	4	c	c	NOUN
ajset-646	225	5	e	e	X
ajset-646	225	6	,	,	PUNCT
ajset-646	225	7	e	e	PROPN
ajset-646	225	8	n	n	PRON
ajset-646	225	9	g	g	NOUN
ajset-646	225	10	i	i	PRON
ajset-646	225	11	n	n	VERB
ajset-646	225	12	e	e	NOUN
ajset-646	225	13	e	e	NOUN
ajset-646	225	14	r	r	VERB
ajset-646	225	15	i	i	PRON
ajset-646	225	16	n	n	CCONJ
ajset-646	225	17	g	g	PROPN
ajset-646	225	18	a	a	DET
ajset-646	225	19	n	n	NOUN
ajset-646	225	20	d	d	NOUN
ajset-646	225	21	t	t	NOUN
ajset-646	225	22	e	e	X
ajset-646	225	23	c	c	NOUN
ajset-646	225	24	h	h	NOUN
ajset-646	225	25	n	n	ADV
ajset-646	225	26	o	o	NOUN
ajset-646	225	27	l	l	NOUN
ajset-646	226	1	o	o	X
ajset-646	226	2	g	g	NOUN
ajset-646	226	3	y	y	PROPN
ajset-646	226	4	|	|	ADV
ajset-646	226	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	226	6	intermediate	intermediate	ADJ
ajset-646	226	7	(	(	PUNCT
ajset-646	226	8	4	4	NUM
ajset-646	226	9	)	)	PUNCT
ajset-646	226	10	transition	transition	NOUN
ajset-646	226	11	state	state	NOUN
ajset-646	226	12	intermediate	intermediate	ADJ
ajset-646	226	13	(	(	PUNCT
ajset-646	226	14	5	5	NUM
ajset-646	226	15	)	)	PUNCT
ajset-646	226	16	bond	bond	NOUN
ajset-646	226	17	length	length	NOUN
ajset-646	226	18	(	(	PUNCT
ajset-646	226	19	å	å	NOUN
ajset-646	226	20	)	)	PUNCT
ajset-646	226	21	r	r	NOUN
ajset-646	226	22	ts	ts	ADP
ajset-646	226	23	p	p	PROPN
ajset-646	226	24	ni	ni	PROPN
ajset-646	226	25	---	---	PUNCT
ajset-646	226	26	h1	h1	PROPN
ajset-646	226	27	1.46	1.46	NUM
ajset-646	226	28	1.74	1.74	NUM
ajset-646	226	29	2.91	2.91	NUM
ajset-646	226	30	n	n	CCONJ
ajset-646	226	31	---	---	PUNCT
ajset-646	226	32	h1	h1	VERB
ajset-646	226	33	2.79	2.79	NUM
ajset-646	226	34	1.68	1.68	NUM
ajset-646	226	35	1.03	1.03	NUM
ajset-646	226	36	frequency	frequency	NOUN
ajset-646	226	37	of	of	ADP
ajset-646	226	38	ni	ni	PROPN
ajset-646	226	39	—	—	PROPN
ajset-646	226	40	h	h	NOUN
ajset-646	226	41	—	—	PUNCT
ajset-646	226	42	n	n	DET
ajset-646	226	43	mode	mode	NOUN
ajset-646	226	44	(	(	PUNCT
ajset-646	226	45	cm-1	cm-1	PROPN
ajset-646	226	46	)	)	PUNCT
ajset-646	226	47	--	--	PUNCT
ajset-646	226	48	654.89i	654.89i	X
ajset-646	226	49	--	--	PUNCT
ajset-646	226	50	angle	angle	NOUN
ajset-646	226	51	(	(	PUNCT
ajset-646	226	52	degrees	degree	NOUN
ajset-646	226	53	)	)	PUNCT
ajset-646	226	54	p1	p1	NOUN
ajset-646	226	55	-	-	PUNCT
ajset-646	226	56	--ni	--ni	ADJ
ajset-646	226	57	---	---	PUNCT
ajset-646	226	58	p2	p2	PROPN
ajset-646	226	59	82.07	82.07	NUM
ajset-646	226	60	82.06	82.06	NUM
ajset-646	226	61	82.49	82.49	NUM
ajset-646	226	62	p3	p3	PROPN
ajset-646	226	63	-	-	PUNCT
ajset-646	226	64	--ni	--ni	ADJ
ajset-646	226	65	---	---	PUNCT
ajset-646	226	66	p4	p4	ADJ
ajset-646	226	67	82.06	82.06	NUM
ajset-646	226	68	82.07	82.07	NUM
ajset-646	226	69	83.62	83.62	NUM
ajset-646	226	70	p1	p1	NOUN
ajset-646	226	71	-	-	PUNCT
ajset-646	226	72	--ni	--ni	ADJ
ajset-646	226	73	---	---	PUNCT
ajset-646	226	74	p3	p3	NOUN
ajset-646	226	75	152.66	152.66	NUM
ajset-646	226	76	152.66	152.66	NUM
ajset-646	226	77	147.20	147.20	NUM
ajset-646	226	78	p2	p2	NOUN
ajset-646	226	79	-	-	PUNCT
ajset-646	226	80	--ni	--ni	ADJ
ajset-646	226	81	---	---	PUNCT
ajset-646	226	82	p4	p4	ADJ
ajset-646	226	83	147.62	147.62	NUM
ajset-646	226	84	147.02	147.02	NUM
ajset-646	226	85	146.35	146.35	NUM
ajset-646	226	86	p2	p2	NOUN
ajset-646	226	87	-	-	PUNCT
ajset-646	226	88	--ni	--ni	ADJ
ajset-646	226	89	---	---	PUNCT
ajset-646	226	90	p3	p3	NOUN
ajset-646	226	91	105.80	105.80	NUM
ajset-646	226	92	105.79	105.79	NUM
ajset-646	226	93	105.94	105.94	NUM
ajset-646	226	94	p1	p1	NOUN
ajset-646	226	95	-	-	PUNCT
ajset-646	226	96	--ni	--ni	ADJ
ajset-646	226	97	---	---	PUNCT
ajset-646	226	98	p4	p4	ADJ
ajset-646	226	99	105.79	105.79	NUM
ajset-646	226	100	105.80	105.80	NUM
ajset-646	226	101	107.08	107.08	NUM
ajset-646	226	102	∆go	∆go	NOUN
ajset-646	226	103	s	s	PART
ajset-646	226	104	(	(	PUNCT
ajset-646	226	105	r	r	NOUN
ajset-646	226	106	&	&	CCONJ
ajset-646	226	107	p	p	NOUN
ajset-646	226	108	)	)	PUNCT
ajset-646	226	109	(	(	PUNCT
ajset-646	226	110	ev	ev	INTJ
ajset-646	226	111	)	)	PUNCT
ajset-646	226	112	∆g	∆g	PROPN
ajset-646	226	113	(	(	PUNCT
ajset-646	226	114	ts	ts	NOUN
ajset-646	226	115	)	)	PUNCT
ajset-646	226	116	(	(	PUNCT
ajset-646	226	117	ev	ev	NOUN
ajset-646	226	118	)	)	PUNCT
ajset-646	226	119	relative	relative	ADJ
ajset-646	226	120	to	to	ADP
ajset-646	226	121	reactant	reactant	NOUN
ajset-646	226	122	0.00	0.00	NUM
ajset-646	226	123	0.48	0.48	NUM
ajset-646	226	124	-1.07	-1.07	PROPN
ajset-646	226	125	c.	c.	PROPN
ajset-646	226	126	electrochemical	electrochemical	ADJ
ajset-646	226	127	intermediates	intermediate	VERB
ajset-646	226	128	the	the	DET
ajset-646	226	129	second	second	ADJ
ajset-646	226	130	category	category	NOUN
ajset-646	226	131	of	of	ADP
ajset-646	226	132	intermediates	intermediate	NOUN
ajset-646	226	133	along	along	ADP
ajset-646	226	134	h2	h2	NOUN
ajset-646	226	135	oxidation	oxidation	NOUN
ajset-646	226	136	/	/	SYM
ajset-646	226	137	production	production	NOUN
ajset-646	226	138	mechanistic	mechanistic	ADJ
ajset-646	226	139	routes	route	NOUN
ajset-646	226	140	are	be	AUX
ajset-646	226	141	the	the	DET
ajset-646	226	142	electrochemical	electrochemical	ADJ
ajset-646	226	143	intermediates	intermediate	NOUN
ajset-646	226	144	,	,	PUNCT
ajset-646	226	145	those	those	PRON
ajset-646	226	146	involving	involve	VERB
ajset-646	226	147	redox	redox	NOUN
ajset-646	226	148	and	and	CCONJ
ajset-646	226	149	acid	acid	ADJ
ajset-646	226	150	/	/	SYM
ajset-646	226	151	base	base	NOUN
ajset-646	226	152	reactions	reaction	NOUN
ajset-646	226	153	.	.	PUNCT
ajset-646	227	1	in	in	ADP
ajset-646	227	2	fig	fig	NOUN
ajset-646	227	3	.	.	PUNCT
ajset-646	228	1	3	3	NUM
ajset-646	228	2	,	,	PUNCT
ajset-646	228	3	the	the	DET
ajset-646	228	4	first	first	ADJ
ajset-646	228	5	of	of	ADP
ajset-646	228	6	the	the	DET
ajset-646	228	7	two	two	NUM
ajset-646	228	8	electrochemical	electrochemical	ADJ
ajset-646	228	9	steps	step	NOUN
ajset-646	228	10	in	in	ADP
ajset-646	228	11	the	the	DET
ajset-646	228	12	2h+	2h+	NUM
ajset-646	228	13	+	+	SYM
ajset-646	228	14	2e→	2e→	NUM
ajset-646	228	15	h2	h2	NOUN
ajset-646	228	16	reaction	reaction	NOUN
ajset-646	228	17	occurs	occur	VERB
ajset-646	228	18	between	between	ADP
ajset-646	228	19	intermediates	intermediate	NOUN
ajset-646	228	20	(	(	PUNCT
ajset-646	228	21	1	1	NUM
ajset-646	228	22	)	)	PUNCT
ajset-646	228	23	and	and	CCONJ
ajset-646	228	24	(	(	PUNCT
ajset-646	228	25	4	4	NUM
ajset-646	228	26	)	)	PUNCT
ajset-646	228	27	,	,	PUNCT
ajset-646	228	28	and	and	CCONJ
ajset-646	228	29	the	the	DET
ajset-646	228	30	second	second	NOUN
ajset-646	228	31	occurs	occur	VERB
ajset-646	228	32	between	between	ADP
ajset-646	228	33	intermediates	intermediate	NOUN
ajset-646	228	34	(	(	PUNCT
ajset-646	228	35	5	5	NUM
ajset-646	228	36	)	)	PUNCT
ajset-646	228	37	and	and	CCONJ
ajset-646	228	38	(	(	PUNCT
ajset-646	228	39	0	0	NUM
ajset-646	228	40	)	)	PUNCT
ajset-646	228	41	.	.	PUNCT
ajset-646	229	1	the	the	DET
ajset-646	229	2	electrochemical	electrochemical	ADJ
ajset-646	229	3	reactions	reaction	NOUN
ajset-646	229	4	can	can	AUX
ajset-646	229	5	be	be	AUX
ajset-646	229	6	sequential	sequential	ADJ
ajset-646	229	7	pt	pt	NOUN
ajset-646	229	8	and	and	CCONJ
ajset-646	229	9	et	et	NOUN
ajset-646	229	10	or	or	CCONJ
ajset-646	229	11	concerted	concert	VERB
ajset-646	229	12	pcet	pcet	NOUN
ajset-646	229	13	.	.	PUNCT
ajset-646	230	1	if	if	SCONJ
ajset-646	230	2	sequential	sequential	ADJ
ajset-646	230	3	,	,	PUNCT
ajset-646	230	4	the	the	DET
ajset-646	230	5	order	order	NOUN
ajset-646	230	6	of	of	ADP
ajset-646	230	7	et	et	NOUN
ajset-646	230	8	followed	follow	VERB
ajset-646	230	9	by	by	ADP
ajset-646	230	10	pt	pt	NOUN
ajset-646	230	11	or	or	CCONJ
ajset-646	230	12	vice	vice	NOUN
ajset-646	230	13	versa	versa	ADV
ajset-646	230	14	is	be	AUX
ajset-646	230	15	not	not	PART
ajset-646	230	16	easily	easily	ADV
ajset-646	230	17	determined	determine	VERB
ajset-646	230	18	a	a	DET
ajset-646	230	19	priori	priori	NOUN
ajset-646	230	20	and	and	CCONJ
ajset-646	230	21	depends	depend	VERB
ajset-646	230	22	on	on	ADP
ajset-646	230	23	the	the	DET
ajset-646	230	24	ph	ph	NOUN
ajset-646	230	25	of	of	ADP
ajset-646	230	26	the	the	DET
ajset-646	230	27	experimental	experimental	ADJ
ajset-646	230	28	conditions	condition	NOUN
ajset-646	230	29	,	,	PUNCT
ajset-646	230	30	along	along	ADP
ajset-646	230	31	with	with	ADP
ajset-646	230	32	the	the	DET
ajset-646	230	33	potential	potential	NOUN
ajset-646	230	34	needed	need	VERB
ajset-646	230	35	to	to	PART
ajset-646	230	36	reach	reach	VERB
ajset-646	230	37	redox	redox	ADJ
ajset-646	230	38	species	specie	NOUN
ajset-646	230	39	along	along	ADP
ajset-646	230	40	the	the	DET
ajset-646	230	41	mechanistic	mechanistic	ADJ
ajset-646	230	42	route	route	NOUN
ajset-646	230	43	.	.	PUNCT
ajset-646	231	1	therefore	therefore	ADV
ajset-646	231	2	,	,	PUNCT
ajset-646	231	3	we	we	PRON
ajset-646	231	4	calculate	calculate	VERB
ajset-646	231	5	the	the	DET
ajset-646	231	6	free	free	ADJ
ajset-646	231	7	-	-	PUNCT
ajset-646	231	8	energy	energy	NOUN
ajset-646	231	9	profile	profile	NOUN
ajset-646	231	10	along	along	ADP
ajset-646	231	11	various	various	ADJ
ajset-646	231	12	mechanistic	mechanistic	ADJ
ajset-646	231	13	routes	route	NOUN
ajset-646	231	14	to	to	PART
ajset-646	231	15	understand	understand	VERB
ajset-646	231	16	which	which	DET
ajset-646	231	17	species	specie	NOUN
ajset-646	231	18	are	be	AUX
ajset-646	231	19	energetically	energetically	ADV
ajset-646	231	20	likely	likely	ADJ
ajset-646	231	21	to	to	PART
ajset-646	231	22	dominate	dominate	VERB
ajset-646	231	23	.	.	PUNCT
ajset-646	232	1	d.	d.	PROPN
ajset-646	232	2	free	free	ADJ
ajset-646	232	3	-	-	PUNCT
ajset-646	232	4	energy	energy	NOUN
ajset-646	232	5	comparison	comparison	NOUN
ajset-646	232	6	of	of	ADP
ajset-646	232	7	type	type	NOUN
ajset-646	232	8	-	-	PUNCT
ajset-646	232	9	i	i	NOUN
ajset-646	232	10	and	and	CCONJ
ajset-646	232	11	type	type	NOUN
ajset-646	232	12	-	-	PUNCT
ajset-646	232	13	ii	ii	NOUN
ajset-646	232	14	h2	h2	NOUN
ajset-646	232	15	bond	bond	NOUN
ajset-646	232	16	cleaved	cleave	VERB
ajset-646	232	17	mechanistic	mechanistic	ADJ
ajset-646	232	18	routes	route	NOUN
ajset-646	232	19	the	the	DET
ajset-646	232	20	characterized	characterized	ADJ
ajset-646	232	21	catalyst	catalyst	NOUN
ajset-646	232	22	(	(	PUNCT
ajset-646	232	23	a	a	X
ajset-646	232	24	)	)	PUNCT
ajset-646	232	25	,	,	PUNCT
ajset-646	232	26	has	have	AUX
ajset-646	232	27	been	be	AUX
ajset-646	232	28	shown	show	VERB
ajset-646	232	29	to	to	PART
ajset-646	232	30	operate	operate	VERB
ajset-646	232	31	as	as	ADP
ajset-646	232	32	an	an	DET
ajset-646	232	33	h2	h2	NOUN
ajset-646	232	34	production	production	NOUN
ajset-646	232	35	catalyst	catalyst	NOUN
ajset-646	232	36	while	while	SCONJ
ajset-646	232	37	(	(	PUNCT
ajset-646	232	38	b	b	X
ajset-646	232	39	)	)	PUNCT
ajset-646	232	40	has	have	AUX
ajset-646	232	41	been	be	AUX
ajset-646	232	42	shown	show	VERB
ajset-646	232	43	to	to	PART
ajset-646	232	44	operate	operate	VERB
ajset-646	232	45	as	as	ADP
ajset-646	232	46	an	an	DET
ajset-646	232	47	h2	h2	NOUN
ajset-646	232	48	oxidation	oxidation	NOUN
ajset-646	232	49	catalyst	catalyst	NOUN
ajset-646	232	50	.	.	PUNCT
ajset-646	233	1	as	as	ADP
ajset-646	233	2	such	such	ADJ
ajset-646	233	3	,	,	PUNCT
ajset-646	233	4	we	we	PRON
ajset-646	233	5	explore	explore	VERB
ajset-646	233	6	the	the	DET
ajset-646	233	7	free	free	ADJ
ajset-646	233	8	-	-	PUNCT
ajset-646	233	9	energy	energy	NOUN
ajset-646	233	10	profiles	profile	NOUN
ajset-646	233	11	of	of	ADP
ajset-646	233	12	each	each	DET
ajset-646	233	13	calculated	calculate	VERB
ajset-646	233	14	model	model	NOUN
ajset-646	233	15	catalyst	catalyst	NOUN
ajset-646	233	16	along	along	ADP
ajset-646	233	17	the	the	DET
ajset-646	233	18	catalytic	catalytic	ADJ
ajset-646	233	19	direction	direction	NOUN
ajset-646	233	20	in	in	ADP
ajset-646	233	21	which	which	PRON
ajset-646	233	22	they	they	PRON
ajset-646	233	23	are	be	AUX
ajset-646	233	24	thought	think	VERB
ajset-646	233	25	to	to	PART
ajset-646	233	26	operate	operate	VERB
ajset-646	233	27	.	.	PUNCT
ajset-646	234	1	an	an	DET
ajset-646	234	2	important	important	ADJ
ajset-646	234	3	component	component	NOUN
ajset-646	234	4	in	in	ADP
ajset-646	234	5	determining	determine	VERB
ajset-646	234	6	the	the	DET
ajset-646	234	7	mechanism	mechanism	NOUN
ajset-646	234	8	is	be	AUX
ajset-646	234	9	the	the	DET
ajset-646	234	10	formation	formation	NOUN
ajset-646	234	11	of	of	ADP
ajset-646	234	12	the	the	DET
ajset-646	234	13	h2	h2	NOUN
ajset-646	234	14	adduct	adduct	NOUN
ajset-646	234	15	as	as	ADP
ajset-646	234	16	the	the	DET
ajset-646	234	17	first	first	ADJ
ajset-646	234	18	step	step	NOUN
ajset-646	234	19	in	in	ADP
ajset-646	234	20	the	the	DET
ajset-646	234	21	h2	h2	NOUN
ajset-646	234	22	oxidation	oxidation	NOUN
ajset-646	234	23	direction	direction	NOUN
ajset-646	234	24	.	.	PUNCT
ajset-646	235	1	as	as	ADP
ajset-646	235	2	such	such	ADJ
ajset-646	235	3	,	,	PUNCT
ajset-646	235	4	this	this	DET
ajset-646	235	5	importance	importance	NOUN
ajset-646	235	6	is	be	AUX
ajset-646	235	7	highlighted	highlight	VERB
ajset-646	235	8	by	by	ADP
ajset-646	235	9	using	use	VERB
ajset-646	235	10	a	a	DET
ajset-646	235	11	proposed	propose	VERB
ajset-646	235	12	adduct	adduct	NOUN
ajset-646	235	13	as	as	SCONJ
ajset-646	235	14	the	the	DET
ajset-646	235	15	reference	reference	NOUN
ajset-646	235	16	compound	compound	VERB
ajset-646	235	17	in	in	ADP
ajset-646	235	18	the	the	DET
ajset-646	235	19	free	free	ADJ
ajset-646	235	20	energy	energy	NOUN
ajset-646	235	21	profiles	profile	NOUN
ajset-646	235	22	,	,	PUNCT
ajset-646	235	23	instead	instead	ADV
ajset-646	235	24	of	of	ADP
ajset-646	235	25	the	the	DET
ajset-646	235	26	bare	bare	ADJ
ajset-646	235	27	catalyst	catalyst	NOUN
ajset-646	235	28	plus	plus	CCONJ
ajset-646	235	29	a	a	DET
ajset-646	235	30	gas	gas	NOUN
ajset-646	235	31	phase	phase	NOUN
ajset-646	235	32	hydrogen	hydrogen	NOUN
ajset-646	235	33	molecule	molecule	NOUN
ajset-646	235	34	.	.	PUNCT
ajset-646	236	1	in	in	ADP
ajset-646	236	2	doing	do	VERB
ajset-646	236	3	so	so	ADV
ajset-646	236	4	,	,	PUNCT
ajset-646	236	5	the	the	DET
ajset-646	236	6	magnitude	magnitude	NOUN
ajset-646	236	7	of	of	ADP
ajset-646	236	8	the	the	DET
ajset-646	236	9	free	free	ADJ
ajset-646	236	10	energy	energy	NOUN
ajset-646	236	11	of	of	ADP
ajset-646	236	12	key	key	ADJ
ajset-646	236	13	steps	step	NOUN
ajset-646	236	14	(	(	PUNCT
ajset-646	236	15	i.e.	i.e.	X
ajset-646	236	16	pcet	pcet	NUM
ajset-646	236	17	and	and	CCONJ
ajset-646	236	18	electrochemical	electrochemical	ADJ
ajset-646	236	19	steps	step	NOUN
ajset-646	236	20	)	)	PUNCT
ajset-646	236	21	is	be	AUX
ajset-646	236	22	similar	similar	ADJ
ajset-646	236	23	to	to	ADP
ajset-646	236	24	the	the	DET
ajset-646	236	25	corresponding	corresponding	ADJ
ajset-646	236	26	free	free	ADJ
ajset-646	236	27	energy	energy	NOUN
ajset-646	236	28	steps	step	NOUN
ajset-646	236	29	of	of	ADP
ajset-646	236	30	our	our	PRON
ajset-646	236	31	previous	previous	ADJ
ajset-646	236	32	paper.42	paper.42	NOUN
ajset-646	236	33	efforts	effort	NOUN
ajset-646	236	34	are	be	AUX
ajset-646	236	35	underway	underway	ADJ
ajset-646	236	36	to	to	PART
ajset-646	236	37	determine	determine	VERB
ajset-646	236	38	the	the	DET
ajset-646	236	39	true	true	ADJ
ajset-646	236	40	transition	transition	NOUN
ajset-646	236	41	state	state	NOUN
ajset-646	236	42	of	of	ADP
ajset-646	236	43	these	these	DET
ajset-646	236	44	key	key	ADJ
ajset-646	236	45	steps	step	NOUN
ajset-646	236	46	.	.	PUNCT
ajset-646	237	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	237	2	academic	academic	ADJ
ajset-646	237	3	journal	journal	NOUN
ajset-646	237	4	of	of	ADP
ajset-646	237	5	science	science	NOUN
ajset-646	237	6	,	,	PUNCT
ajset-646	237	7	engineering	engineering	NOUN
ajset-646	237	8	and	and	CCONJ
ajset-646	237	9	technology	technology	NOUN
ajset-646	237	10	vol.6	vol.6	PROPN
ajset-646	237	11	,	,	PUNCT
ajset-646	237	12	issue	issue	NOUN
ajset-646	237	13	5	5	NUM
ajset-646	237	14	;	;	PUNCT
ajset-646	237	15	september	september	PROPN
ajset-646	237	16	october	october	PROPN
ajset-646	237	17	2021	2021	NUM
ajset-646	237	18	;	;	PUNCT
ajset-646	237	19	1252	1252	NUM
ajset-646	237	20	columbia	columbia	PROPN
ajset-646	237	21	rd	rd	PROPN
ajset-646	237	22	nw	nw	PROPN
ajset-646	237	23	,	,	PUNCT
ajset-646	237	24	washington	washington	PROPN
ajset-646	237	25	dc	dc	PROPN
ajset-646	237	26	,	,	PUNCT
ajset-646	237	27	united	united	PROPN
ajset-646	237	28	states	states	PROPN
ajset-646	237	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	237	30	;	;	PUNCT
ajset-646	237	31	mail	mail	NOUN
ajset-646	237	32	:	:	PUNCT
ajset-646	237	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	238	1	13	13	NUM
ajset-646	239	1	|	|	ADV
ajset-646	239	2	a	a	DET
ajset-646	239	3	c	c	NOUN
ajset-646	239	4	a	a	PRON
ajset-646	239	5	d	d	X
ajset-646	239	6	e	e	NOUN
ajset-646	239	7	m	m	NOUN
ajset-646	239	8	i	i	NOUN
ajset-646	239	9	c	c	NOUN
ajset-646	239	10	j	j	NOUN
ajset-646	239	11	o	o	X
ajset-646	239	12	u	u	NOUN
ajset-646	239	13	r	r	NOUN
ajset-646	239	14	n	n	NOUN
ajset-646	239	15	a	a	DET
ajset-646	239	16	l	l	NOUN
ajset-646	240	1	o	o	X
ajset-646	240	2	f	f	X
ajset-646	240	3	s	s	X
ajset-646	240	4	c	c	NOUN
ajset-646	241	1	i	i	NOUN
ajset-646	241	2	e	e	PROPN
ajset-646	241	3	n	n	PROPN
ajset-646	241	4	c	c	NOUN
ajset-646	241	5	e	e	X
ajset-646	241	6	,	,	PUNCT
ajset-646	241	7	e	e	PROPN
ajset-646	241	8	n	n	PRON
ajset-646	241	9	g	g	NOUN
ajset-646	241	10	i	i	PRON
ajset-646	241	11	n	n	VERB
ajset-646	241	12	e	e	NOUN
ajset-646	241	13	e	e	NOUN
ajset-646	241	14	r	r	VERB
ajset-646	241	15	i	i	PRON
ajset-646	241	16	n	n	CCONJ
ajset-646	241	17	g	g	PROPN
ajset-646	241	18	a	a	DET
ajset-646	241	19	n	n	NOUN
ajset-646	241	20	d	d	NOUN
ajset-646	241	21	t	t	NOUN
ajset-646	241	22	e	e	X
ajset-646	241	23	c	c	NOUN
ajset-646	241	24	h	h	NOUN
ajset-646	241	25	n	n	ADV
ajset-646	241	26	o	o	NOUN
ajset-646	241	27	l	l	NOUN
ajset-646	242	1	o	o	X
ajset-646	242	2	g	g	NOUN
ajset-646	242	3	y	y	PROPN
ajset-646	242	4	|	|	ADV
ajset-646	242	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	242	6	1	1	NUM
ajset-646	242	7	.	.	PUNCT
ajset-646	243	1	h2	h2	NOUN
ajset-646	243	2	production	production	NOUN
ajset-646	243	3	in	in	ADP
ajset-646	243	4	[	[	X
ajset-646	243	5	ni(pph	ni(pph	NOUN
ajset-646	243	6	2nph	2nph	NUM
ajset-646	243	7	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	243	8	)	)	PUNCT
ajset-646	243	9	]	]	PUNCT
ajset-646	243	10	.	.	PUNCT
ajset-646	244	1	free	free	ADJ
ajset-646	244	2	-	-	PUNCT
ajset-646	244	3	energy	energy	NOUN
ajset-646	244	4	calculations	calculation	NOUN
ajset-646	244	5	on	on	ADP
ajset-646	244	6	the	the	DET
ajset-646	244	7	[	[	X
ajset-646	244	8	ni(pph	ni(pph	PROPN
ajset-646	244	9	2n	2n	NUM
ajset-646	244	10	ph	ph	PROPN
ajset-646	244	11	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	244	12	)	)	PUNCT
ajset-646	244	13	]	]	PUNCT
ajset-646	244	14	model	model	NOUN
ajset-646	244	15	were	be	AUX
ajset-646	244	16	performed	perform	VERB
ajset-646	244	17	,	,	PUNCT
ajset-646	244	18	and	and	CCONJ
ajset-646	244	19	will	will	AUX
ajset-646	244	20	be	be	AUX
ajset-646	244	21	discussed	discuss	VERB
ajset-646	244	22	here	here	ADV
ajset-646	244	23	in	in	ADP
ajset-646	244	24	the	the	DET
ajset-646	244	25	catalytic	catalytic	ADJ
ajset-646	244	26	direction	direction	NOUN
ajset-646	244	27	for	for	ADP
ajset-646	244	28	h2	h2	NOUN
ajset-646	244	29	production	production	NOUN
ajset-646	244	30	.	.	PUNCT
ajset-646	245	1	figure	figure	NOUN
ajset-646	245	2	8	8	NUM
ajset-646	245	3	illustrates	illustrate	VERB
ajset-646	245	4	the	the	DET
ajset-646	245	5	calculated	calculate	VERB
ajset-646	245	6	free	free	ADJ
ajset-646	245	7	-	-	PUNCT
ajset-646	245	8	energy	energy	NOUN
ajset-646	245	9	versus	versus	ADP
ajset-646	245	10	the	the	DET
ajset-646	245	11	reversible	reversible	ADJ
ajset-646	245	12	hydrogen	hydrogen	NOUN
ajset-646	245	13	electrode	electrode	NOUN
ajset-646	245	14	(	(	PUNCT
ajset-646	245	15	rhe	rhe	NOUN
ajset-646	245	16	)	)	PUNCT
ajset-646	245	17	along	along	ADP
ajset-646	245	18	the	the	DET
ajset-646	245	19	proposed	propose	VERB
ajset-646	245	20	h2	h2	NOUN
ajset-646	245	21	production	production	NOUN
ajset-646	245	22	mechanistic	mechanistic	ADJ
ajset-646	245	23	routes	route	NOUN
ajset-646	245	24	at	at	ADP
ajset-646	245	25	ph	ph	NOUN
ajset-646	245	26	=	=	SYM
ajset-646	245	27	0	0	X
ajset-646	245	28	.	.	PUNCT
ajset-646	245	29	intermediates	intermediate	NOUN
ajset-646	245	30	along	along	ADP
ajset-646	245	31	the	the	DET
ajset-646	245	32	reaction	reaction	NOUN
ajset-646	245	33	coordinate	coordinate	NOUN
ajset-646	245	34	,	,	PUNCT
ajset-646	245	35	emphasizing	emphasize	VERB
ajset-646	245	36	the	the	DET
ajset-646	245	37	distinction	distinction	NOUN
ajset-646	245	38	between	between	ADP
ajset-646	245	39	the	the	DET
ajset-646	245	40	two	two	NUM
ajset-646	245	41	type	type	NOUN
ajset-646	245	42	-	-	PUNCT
ajset-646	245	43	ii	ii	NOUN
ajset-646	245	44	h2	h2	NOUN
ajset-646	245	45	bond	bond	NOUN
ajset-646	245	46	cleaved	cleave	VERB
ajset-646	245	47	(	(	PUNCT
ajset-646	245	48	paths	path	NOUN
ajset-646	245	49	1	1	NUM
ajset-646	245	50	and	and	CCONJ
ajset-646	245	51	2	2	NUM
ajset-646	245	52	)	)	PUNCT
ajset-646	245	53	and	and	CCONJ
ajset-646	245	54	two	two	NUM
ajset-646	245	55	typei	typei	PROPN
ajset-646	245	56	h2	h2	PROPN
ajset-646	245	57	bond	bond	NOUN
ajset-646	245	58	cleaved	cleave	VERB
ajset-646	245	59	(	(	PUNCT
ajset-646	245	60	paths	path	NOUN
ajset-646	245	61	3	3	NUM
ajset-646	245	62	and	and	CCONJ
ajset-646	245	63	4	4	NUM
ajset-646	245	64	)	)	PUNCT
ajset-646	245	65	routes	route	NOUN
ajset-646	245	66	are	be	AUX
ajset-646	245	67	explained	explain	VERB
ajset-646	245	68	in	in	ADP
ajset-646	245	69	the	the	DET
ajset-646	245	70	caption	caption	NOUN
ajset-646	245	71	.	.	PUNCT
ajset-646	246	1	fig	fig	NOUN
ajset-646	246	2	.	.	PUNCT
ajset-646	247	1	8	8	NUM
ajset-646	247	2	:	:	PUNCT
ajset-646	247	3	summary	summary	NOUN
ajset-646	247	4	of	of	ADP
ajset-646	247	5	mechanistic	mechanistic	ADJ
ajset-646	247	6	routes	route	NOUN
ajset-646	247	7	leading	lead	VERB
ajset-646	247	8	to	to	ADP
ajset-646	247	9	h2	h2	NOUN
ajset-646	247	10	production	production	NOUN
ajset-646	247	11	of	of	ADP
ajset-646	247	12	[	[	X
ajset-646	247	13	ni(pph	ni(pph	PROPN
ajset-646	247	14	2n	2n	NUM
ajset-646	247	15	ph	ph	PROPN
ajset-646	247	16	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	247	17	)	)	PUNCT
ajset-646	247	18	]	]	PUNCT
ajset-646	247	19	at	at	ADP
ajset-646	247	20	conditions	condition	NOUN
ajset-646	247	21	of	of	ADP
ajset-646	247	22	ph	ph	NOUN
ajset-646	247	23	=	=	SYM
ajset-646	247	24	0	0	PROPN
ajset-646	247	25	.	.	PUNCT
ajset-646	248	1	energy	energy	NOUN
ajset-646	248	2	differences	difference	NOUN
ajset-646	248	3	are	be	AUX
ajset-646	248	4	taken	take	VERB
ajset-646	248	5	with	with	ADP
ajset-646	248	6	respect	respect	NOUN
ajset-646	248	7	to	to	ADP
ajset-646	248	8	the	the	DET
ajset-646	248	9	first	first	ADJ
ajset-646	248	10	point	point	NOUN
ajset-646	248	11	,	,	PUNCT
ajset-646	248	12	the	the	DET
ajset-646	248	13	h2	h2	NOUN
ajset-646	248	14	adduct	adduct	NOUN
ajset-646	248	15	,	,	PUNCT
ajset-646	248	16	and	and	CCONJ
ajset-646	248	17	normalized	normalize	VERB
ajset-646	248	18	to	to	ADP
ajset-646	248	19	the	the	DET
ajset-646	248	20	reversible	reversible	ADJ
ajset-646	248	21	hydrogen	hydrogen	NOUN
ajset-646	248	22	electrode	electrode	NOUN
ajset-646	248	23	(	(	PUNCT
ajset-646	248	24	rhe	rhe	NOUN
ajset-646	248	25	)	)	PUNCT
ajset-646	248	26	.	.	PUNCT
ajset-646	249	1	intermediates	intermediate	NOUN
ajset-646	249	2	involved	involve	VERB
ajset-646	249	3	in	in	ADP
ajset-646	249	4	each	each	DET
ajset-646	249	5	route	route	NOUN
ajset-646	249	6	are	be	AUX
ajset-646	249	7	:	:	PUNCT
ajset-646	249	8	type	type	NOUN
ajset-646	249	9	-	-	PUNCT
ajset-646	249	10	ii	ii	NOUN
ajset-646	249	11	path	path	NOUN
ajset-646	249	12	1(blue	1(blue	NUM
ajset-646	249	13	):	):	PUNCT
ajset-646	249	14	0	0	NUM
ajset-646	249	15	6a	6a	NOUN
ajset-646	249	16	5	5	NUM
ajset-646	249	17	4	4	NUM
ajset-646	249	18	3a	3a	NUM
ajset-646	249	19	2a	2a	NUM
ajset-646	249	20	1a	1a	NOUN
ajset-646	249	21	0	0	X
ajset-646	249	22	.	.	PUNCT
ajset-646	249	23	type	type	NOUN
ajset-646	249	24	-	-	PUNCT
ajset-646	249	25	ii	ii	NOUN
ajset-646	249	26	path	path	NOUN
ajset-646	249	27	2(orange	2(orange	NUM
ajset-646	249	28	):	):	PUNCT
ajset-646	249	29	0	0	NUM
ajset-646	249	30	6a	6a	NOUN
ajset-646	249	31	5	5	NUM
ajset-646	249	32	4	4	NUM
ajset-646	249	33	3b	3b	NUM
ajset-646	249	34	2b	2b	NOUN
ajset-646	249	35	1a	1a	NOUN
ajset-646	249	36	0	0	NUM
ajset-646	249	37	.	.	PUNCT
ajset-646	250	1	type	type	NOUN
ajset-646	250	2	-	-	PUNCT
ajset-646	250	3	i	i	PRON
ajset-646	250	4	path	path	NOUN
ajset-646	250	5	3(green	3(green	NUM
ajset-646	250	6	):	):	PUNCT
ajset-646	250	7	0	0	NUM
ajset-646	250	8	6b	6b	NUM
ajset-646	250	9	5	5	NUM
ajset-646	250	10	4	4	NUM
ajset-646	250	11	3a	3a	NUM
ajset-646	250	12	1b	1b	NUM
ajset-646	250	13	0	0	NUM
ajset-646	250	14	.	.	PUNCT
ajset-646	251	1	type	type	NOUN
ajset-646	251	2	-	-	PUNCT
ajset-646	251	3	i	i	PRON
ajset-646	251	4	path	path	NOUN
ajset-646	251	5	4(purple	4(purple	NUM
ajset-646	251	6	):	):	PUNCT
ajset-646	251	7	0	0	NUM
ajset-646	251	8	6b	6b	NUM
ajset-646	251	9	5	5	NUM
ajset-646	251	10	4	4	NUM
ajset-646	251	11	3b	3b	X
ajset-646	251	12	1b	1b	NUM
ajset-646	251	13	0	0	NUM
ajset-646	251	14	.	.	PUNCT
ajset-646	252	1	in	in	ADP
ajset-646	252	2	figure	figure	NOUN
ajset-646	252	3	8	8	NUM
ajset-646	252	4	,	,	PUNCT
ajset-646	252	5	the	the	DET
ajset-646	252	6	type	type	NOUN
ajset-646	252	7	-	-	PUNCT
ajset-646	252	8	ii	ii	NOUN
ajset-646	252	9	h2	h2	NOUN
ajset-646	252	10	bond	bond	NOUN
ajset-646	252	11	cleaved	cleaved	ADJ
ajset-646	252	12	routes	route	NOUN
ajset-646	252	13	are	be	AUX
ajset-646	252	14	the	the	DET
ajset-646	252	15	ones	one	NOUN
ajset-646	252	16	in	in	ADP
ajset-646	252	17	which	which	PRON
ajset-646	252	18	intermediate	intermediate	ADJ
ajset-646	252	19	(	(	PUNCT
ajset-646	252	20	1a	1a	X
ajset-646	252	21	)	)	PUNCT
ajset-646	252	22	is	be	AUX
ajset-646	252	23	involved	involve	VERB
ajset-646	252	24	in	in	ADP
ajset-646	252	25	the	the	DET
ajset-646	252	26	mechanism	mechanism	NOUN
ajset-646	252	27	and	and	CCONJ
ajset-646	252	28	type	type	NOUN
ajset-646	252	29	-	-	PUNCT
ajset-646	252	30	i	i	NOUN
ajset-646	252	31	h2	h2	NOUN
ajset-646	252	32	bond	bond	NOUN
ajset-646	252	33	cleaved	cleave	VERB
ajset-646	252	34	routes	route	NOUN
ajset-646	252	35	involve	involve	VERB
ajset-646	252	36	intermediate	intermediate	ADJ
ajset-646	252	37	(	(	PUNCT
ajset-646	252	38	1b	1b	NUM
ajset-646	252	39	)	)	PUNCT
ajset-646	252	40	.	.	PUNCT
ajset-646	253	1	panel	panel	NOUN
ajset-646	253	2	(	(	PUNCT
ajset-646	253	3	a	a	PRON
ajset-646	253	4	)	)	PUNCT
ajset-646	253	5	illustrates	illustrate	VERB
ajset-646	253	6	that	that	SCONJ
ajset-646	253	7	when	when	SCONJ
ajset-646	253	8	the	the	DET
ajset-646	253	9	two	two	NUM
ajset-646	253	10	type	type	NOUN
ajset-646	253	11	-	-	PUNCT
ajset-646	253	12	ii	ii	NOUN
ajset-646	253	13	h2	h2	NOUN
ajset-646	253	14	bond	bond	NOUN
ajset-646	253	15	cleaved	cleaved	ADJ
ajset-646	253	16	routes	route	NOUN
ajset-646	253	17	are	be	AUX
ajset-646	253	18	compared	compare	VERB
ajset-646	253	19	,	,	PUNCT
ajset-646	253	20	path	path	NOUN
ajset-646	253	21	1	1	NUM
ajset-646	253	22	(	(	PUNCT
ajset-646	253	23	blue	blue	NOUN
ajset-646	253	24	)	)	PUNCT
ajset-646	253	25	,	,	PUNCT
ajset-646	253	26	which	which	PRON
ajset-646	253	27	follows	follow	VERB
ajset-646	253	28	intermediates	intermediate	NOUN
ajset-646	253	29	0	0	NUM
ajset-646	253	30	6a	6a	NOUN
ajset-646	253	31	5	5	NUM
ajset-646	253	32	4	4	NUM
ajset-646	253	33	3a	3a	NUM
ajset-646	253	34	2a	2a	NUM
ajset-646	253	35	1a	1a	X
ajset-646	253	36	0	0	NUM
ajset-646	253	37	,	,	PUNCT
ajset-646	253	38	is	be	AUX
ajset-646	253	39	a	a	DET
ajset-646	253	40	lower	low	ADJ
ajset-646	253	41	energy	energy	NOUN
ajset-646	253	42	route	route	NOUN
ajset-646	253	43	than	than	ADP
ajset-646	253	44	path	path	NOUN
ajset-646	253	45	2	2	NUM
ajset-646	253	46	(	(	PUNCT
ajset-646	253	47	orange	orange	PROPN
ajset-646	253	48	)	)	PUNCT
ajset-646	253	49	.	.	PUNCT
ajset-646	254	1	the	the	DET
ajset-646	254	2	ni0nh+	ni0nh+	ADJ
ajset-646	254	3	(	(	PUNCT
ajset-646	254	4	2a	2a	NUM
ajset-646	254	5	)	)	PUNCT
ajset-646	254	6	and	and	CCONJ
ajset-646	254	7	niii(h-)-n	niii(h-)-n	PROPN
ajset-646	254	8	(	(	PUNCT
ajset-646	254	9	3a	3a	NUM
ajset-646	254	10	)	)	PUNCT
ajset-646	254	11	are	be	AUX
ajset-646	254	12	lower	low	ADJ
ajset-646	254	13	in	in	ADP
ajset-646	254	14	energy	energy	NOUN
ajset-646	254	15	than	than	ADP
ajset-646	254	16	+	+	ADJ
ajset-646	254	17	hn	hn	PROPN
ajset-646	254	18	-	-	PUNCT
ajset-646	254	19	nii	nii	NOUN
ajset-646	254	20	-	-	PUNCT
ajset-646	254	21	nh+	nh+	NOUN
ajset-646	254	22	(	(	PUNCT
ajset-646	254	23	2b	2b	NUM
ajset-646	254	24	)	)	PUNCT
ajset-646	254	25	and	and	CCONJ
ajset-646	254	26	niiii(h-)-nh+	niiii(h-)-nh+	NUM
ajset-646	254	27	(	(	PUNCT
ajset-646	254	28	3b	3b	NUM
ajset-646	254	29	)	)	PUNCT
ajset-646	254	30	.	.	PUNCT
ajset-646	255	1	panel	panel	NOUN
ajset-646	255	2	(	(	PUNCT
ajset-646	255	3	b	b	NOUN
ajset-646	255	4	)	)	PUNCT
ajset-646	255	5	illustrates	illustrate	VERB
ajset-646	255	6	that	that	SCONJ
ajset-646	255	7	when	when	SCONJ
ajset-646	255	8	the	the	DET
ajset-646	255	9	type	type	NOUN
ajset-646	255	10	-	-	PUNCT
ajset-646	255	11	i	i	NOUN
ajset-646	255	12	h2	h2	NOUN
ajset-646	255	13	bond	bond	NOUN
ajset-646	255	14	cleaved	cleaved	ADJ
ajset-646	255	15	routes	route	NOUN
ajset-646	255	16	are	be	AUX
ajset-646	255	17	compared	compare	VERB
ajset-646	255	18	,	,	PUNCT
ajset-646	255	19	path	path	NOUN
ajset-646	255	20	3	3	NUM
ajset-646	255	21	(	(	PUNCT
ajset-646	255	22	green	green	NOUN
ajset-646	255	23	)	)	PUNCT
ajset-646	255	24	which	which	PRON
ajset-646	255	25	follows	follow	VERB
ajset-646	255	26	intermediates	intermediate	NOUN
ajset-646	255	27	0	0	NUM
ajset-646	255	28	6b	6b	NUM
ajset-646	255	29	5	5	NUM
ajset-646	255	30	4	4	NUM
ajset-646	255	31	3a	3a	NUM
ajset-646	255	32	1b	1b	NUM
ajset-646	255	33	0	0	NUM
ajset-646	255	34	,	,	PUNCT
ajset-646	255	35	is	be	AUX
ajset-646	255	36	a	a	DET
ajset-646	255	37	lower	low	ADJ
ajset-646	255	38	energy	energy	NOUN
ajset-646	255	39	route	route	NOUN
ajset-646	255	40	than	than	ADP
ajset-646	255	41	path	path	NOUN
ajset-646	255	42	4	4	NUM
ajset-646	255	43	(	(	PUNCT
ajset-646	255	44	purple	purple	ADJ
ajset-646	255	45	)	)	PUNCT
ajset-646	255	46	.	.	PUNCT
ajset-646	256	1	again	again	ADV
ajset-646	256	2	,	,	PUNCT
ajset-646	256	3	the	the	DET
ajset-646	256	4	difference	difference	NOUN
ajset-646	256	5	here	here	ADV
ajset-646	256	6	is	be	AUX
ajset-646	256	7	that	that	SCONJ
ajset-646	256	8	niii(h-)-n	niii(h-)-n	PROPN
ajset-646	256	9	(	(	PUNCT
ajset-646	256	10	3a	3a	NUM
ajset-646	256	11	)	)	PUNCT
ajset-646	256	12	is	be	AUX
ajset-646	256	13	lower	low	ADJ
ajset-646	256	14	in	in	ADP
ajset-646	256	15	energy	energy	NOUN
ajset-646	256	16	than	than	ADP
ajset-646	256	17	niiii(h-)-nh+	niiii(h-)-nh+	X
ajset-646	256	18	(	(	PUNCT
ajset-646	256	19	3b	3b	NUM
ajset-646	256	20	)	)	PUNCT
ajset-646	256	21	.	.	PUNCT
ajset-646	257	1	panel	panel	NOUN
ajset-646	257	2	(	(	PUNCT
ajset-646	257	3	c	c	NOUN
ajset-646	257	4	)	)	PUNCT
ajset-646	257	5	then	then	ADV
ajset-646	257	6	compares	compare	VERB
ajset-646	257	7	the	the	DET
ajset-646	257	8	lowest	low	ADJ
ajset-646	257	9	energy	energy	NOUN
ajset-646	257	10	route	route	NOUN
ajset-646	257	11	for	for	ADP
ajset-646	257	12	both	both	DET
ajset-646	257	13	type	type	NOUN
ajset-646	257	14	-	-	PUNCT
ajset-646	257	15	i	i	NOUN
ajset-646	257	16	and	and	CCONJ
ajset-646	257	17	type	type	NOUN
ajset-646	257	18	-	-	PUNCT
ajset-646	257	19	ii	ii	NOUN
ajset-646	257	20	h2	h2	NOUN
ajset-646	257	21	bond	bond	NOUN
ajset-646	257	22	cleaved	cleaved	ADJ
ajset-646	257	23	routes	route	NOUN
ajset-646	257	24	,	,	PUNCT
ajset-646	257	25	paths	path	NOUN
ajset-646	257	26	1	1	NUM
ajset-646	257	27	and	and	CCONJ
ajset-646	257	28	3	3	NUM
ajset-646	257	29	,	,	PUNCT
ajset-646	257	30	and	and	CCONJ
ajset-646	257	31	is	be	AUX
ajset-646	257	32	a	a	DET
ajset-646	257	33	key	key	ADJ
ajset-646	257	34	feature	feature	NOUN
ajset-646	257	35	in	in	ADP
ajset-646	257	36	this	this	DET
ajset-646	257	37	energy	energy	NOUN
ajset-646	257	38	analysis	analysis	NOUN
ajset-646	257	39	.	.	PUNCT
ajset-646	258	1	the	the	DET
ajset-646	258	2	comparison	comparison	NOUN
ajset-646	258	3	shows	show	VERB
ajset-646	258	4	that	that	SCONJ
ajset-646	258	5	the	the	DET
ajset-646	258	6	first	first	ADJ
ajset-646	258	7	electrochemical	electrochemical	ADJ
ajset-646	258	8	step	step	NOUN
ajset-646	258	9	,	,	PUNCT
ajset-646	258	10	involving	involve	VERB
ajset-646	258	11	intermediates	intermediate	NOUN
ajset-646	258	12	0	0	NUM
ajset-646	258	13	→	→	SYM
ajset-646	258	14	5	5	NUM
ajset-646	258	15	is	be	AUX
ajset-646	258	16	nearly	nearly	ADV
ajset-646	258	17	isoenergetic	isoenergetic	ADJ
ajset-646	258	18	.	.	PUNCT
ajset-646	259	1	viability	viability	NOUN
ajset-646	259	2	of	of	ADP
ajset-646	259	3	this	this	DET
ajset-646	259	4	first	first	ADJ
ajset-646	259	5	electrochemical	electrochemical	ADJ
ajset-646	259	6	step	step	NOUN
ajset-646	259	7	becomes	become	VERB
ajset-646	259	8	important	important	ADJ
ajset-646	259	9	for	for	ADP
ajset-646	259	10	the	the	DET
ajset-646	259	11	discussion	discussion	NOUN
ajset-646	259	12	in	in	ADP
ajset-646	259	13	section	section	NOUN
ajset-646	259	14	iv	iv	ADP
ajset-646	259	15	c	c	NOUN
ajset-646	259	16	about	about	ADP
ajset-646	259	17	the	the	DET
ajset-646	259	18	appropriate	appropriate	ADJ
ajset-646	259	19	ph	ph	ADJ
ajset-646	259	20	regime	regime	NOUN
ajset-646	259	21	at	at	ADP
ajset-646	259	22	which	which	PRON
ajset-646	259	23	the	the	DET
ajset-646	259	24	experiment	experiment	NOUN
ajset-646	259	25	should	should	AUX
ajset-646	259	26	be	be	AUX
ajset-646	259	27	operated	operate	VERB
ajset-646	259	28	.	.	PUNCT
ajset-646	260	1	the	the	DET
ajset-646	260	2	subsequent	subsequent	ADJ
ajset-646	260	3	electrochemical	electrochemical	ADJ
ajset-646	260	4	step	step	NOUN
ajset-646	260	5	leads	lead	VERB
ajset-646	260	6	to	to	ADP
ajset-646	260	7	the	the	DET
ajset-646	260	8	[	[	X
ajset-646	260	9	nii	nii	NOUN
ajset-646	260	10	-	-	PUNCT
ajset-646	260	11	nh+]2	nh+]2	ADJ
ajset-646	260	12	+	+	CCONJ
ajset-646	260	13	reduced	reduced	ADJ
ajset-646	260	14	metal	metal	NOUN
ajset-646	260	15	,	,	PUNCT
ajset-646	260	16	protonated	protonate	VERB
ajset-646	260	17	base	base	NOUN
ajset-646	260	18	defined	define	VERB
ajset-646	260	19	as	as	ADP
ajset-646	260	20	intermediate	intermediate	ADJ
ajset-646	260	21	(	(	PUNCT
ajset-646	260	22	5	5	NUM
ajset-646	260	23	)	)	PUNCT
ajset-646	260	24	.	.	PUNCT
ajset-646	261	1	if	if	SCONJ
ajset-646	261	2	pcet	pcet	NOUN
ajset-646	261	3	conditions	condition	NOUN
ajset-646	261	4	prevail	prevail	VERB
ajset-646	261	5	,	,	PUNCT
ajset-646	261	6	then	then	ADV
ajset-646	261	7	intermediate	intermediate	ADJ
ajset-646	261	8	(	(	PUNCT
ajset-646	261	9	6	6	NUM
ajset-646	261	10	)	)	PUNCT
ajset-646	261	11	is	be	AUX
ajset-646	261	12	not	not	PART
ajset-646	261	13	observed	observe	VERB
ajset-646	261	14	,	,	PUNCT
ajset-646	261	15	otherwise	otherwise	ADV
ajset-646	261	16	intermediate	intermediate	ADJ
ajset-646	261	17	(	(	PUNCT
ajset-646	261	18	6a	6a	NOUN
ajset-646	261	19	)	)	PUNCT
ajset-646	261	20	would	would	AUX
ajset-646	261	21	be	be	AUX
ajset-646	261	22	favored	favor	VERB
ajset-646	261	23	.	.	PUNCT
ajset-646	262	1	the	the	DET
ajset-646	262	2	oxidative	oxidative	ADJ
ajset-646	262	3	addition	addition	NOUN
ajset-646	262	4	that	that	PRON
ajset-646	262	5	follows	follow	VERB
ajset-646	262	6	,	,	PUNCT
ajset-646	262	7	common	common	ADJ
ajset-646	262	8	to	to	ADP
ajset-646	262	9	all	all	DET
ajset-646	262	10	four	four	NUM
ajset-646	262	11	proposed	propose	VERB
ajset-646	262	12	mechanistic	mechanistic	ADJ
ajset-646	262	13	routes	route	NOUN
ajset-646	262	14	,	,	PUNCT
ajset-646	262	15	in	in	ADP
ajset-646	262	16	which	which	PRON
ajset-646	262	17	the	the	DET
ajset-646	262	18	base	base	NOUN
ajset-646	262	19	loses	lose	VERB
ajset-646	262	20	the	the	DET
ajset-646	262	21	proton	proton	NOUN
ajset-646	262	22	to	to	ADP
ajset-646	262	23	the	the	DET
ajset-646	262	24	metal	metal	NOUN
ajset-646	262	25	center	center	NOUN
ajset-646	262	26	as	as	ADP
ajset-646	262	27	a	a	DET
ajset-646	262	28	hydride	hydride	NOUN
ajset-646	262	29	forming	form	VERB
ajset-646	262	30	the	the	DET
ajset-646	262	31	[	[	X
ajset-646	262	32	niiii(h)-n]2	niiii(h)-n]2	NOUN
ajset-646	262	33	+	+	CCONJ
ajset-646	262	34	intermediate	intermediate	ADJ
ajset-646	262	35	(	(	PUNCT
ajset-646	262	36	4	4	NUM
ajset-646	262	37	)	)	PUNCT
ajset-646	262	38	,	,	PUNCT
ajset-646	262	39	has	have	VERB
ajset-646	262	40	an	an	DET
ajset-646	262	41	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	262	42	academic	academic	ADJ
ajset-646	262	43	journal	journal	NOUN
ajset-646	262	44	of	of	ADP
ajset-646	262	45	science	science	NOUN
ajset-646	262	46	,	,	PUNCT
ajset-646	262	47	engineering	engineering	NOUN
ajset-646	262	48	and	and	CCONJ
ajset-646	262	49	technology	technology	NOUN
ajset-646	262	50	vol.6	vol.6	PROPN
ajset-646	262	51	,	,	PUNCT
ajset-646	262	52	issue	issue	NOUN
ajset-646	262	53	5	5	NUM
ajset-646	262	54	;	;	PUNCT
ajset-646	262	55	september	september	PROPN
ajset-646	262	56	october	october	PROPN
ajset-646	262	57	2021	2021	NUM
ajset-646	262	58	;	;	PUNCT
ajset-646	262	59	1252	1252	NUM
ajset-646	262	60	columbia	columbia	PROPN
ajset-646	262	61	rd	rd	PROPN
ajset-646	262	62	nw	nw	PROPN
ajset-646	262	63	,	,	PUNCT
ajset-646	262	64	washington	washington	PROPN
ajset-646	262	65	dc	dc	PROPN
ajset-646	262	66	,	,	PUNCT
ajset-646	262	67	united	united	PROPN
ajset-646	262	68	states	states	PROPN
ajset-646	262	69	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	262	70	;	;	PUNCT
ajset-646	262	71	mail	mail	NOUN
ajset-646	262	72	:	:	PUNCT
ajset-646	262	73	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	263	1	14	14	NUM
ajset-646	264	1	|	|	ADV
ajset-646	264	2	a	a	DET
ajset-646	264	3	c	c	NOUN
ajset-646	264	4	a	a	PRON
ajset-646	264	5	d	d	X
ajset-646	264	6	e	e	NOUN
ajset-646	264	7	m	m	NOUN
ajset-646	264	8	i	i	NOUN
ajset-646	264	9	c	c	NOUN
ajset-646	264	10	j	j	NOUN
ajset-646	264	11	o	o	X
ajset-646	264	12	u	u	NOUN
ajset-646	264	13	r	r	NOUN
ajset-646	264	14	n	n	NOUN
ajset-646	264	15	a	a	DET
ajset-646	264	16	l	l	NOUN
ajset-646	265	1	o	o	X
ajset-646	265	2	f	f	X
ajset-646	265	3	s	s	X
ajset-646	265	4	c	c	NOUN
ajset-646	266	1	i	i	NOUN
ajset-646	266	2	e	e	PROPN
ajset-646	266	3	n	n	PROPN
ajset-646	266	4	c	c	NOUN
ajset-646	266	5	e	e	X
ajset-646	266	6	,	,	PUNCT
ajset-646	266	7	e	e	PROPN
ajset-646	266	8	n	n	PRON
ajset-646	266	9	g	g	NOUN
ajset-646	266	10	i	i	PRON
ajset-646	266	11	n	n	VERB
ajset-646	266	12	e	e	NOUN
ajset-646	266	13	e	e	NOUN
ajset-646	266	14	r	r	VERB
ajset-646	266	15	i	i	PRON
ajset-646	266	16	n	n	CCONJ
ajset-646	266	17	g	g	PROPN
ajset-646	266	18	a	a	DET
ajset-646	266	19	n	n	NOUN
ajset-646	266	20	d	d	NOUN
ajset-646	266	21	t	t	NOUN
ajset-646	266	22	e	e	X
ajset-646	266	23	c	c	NOUN
ajset-646	266	24	h	h	NOUN
ajset-646	266	25	n	n	ADV
ajset-646	266	26	o	o	NOUN
ajset-646	266	27	l	l	NOUN
ajset-646	267	1	o	o	X
ajset-646	267	2	g	g	NOUN
ajset-646	267	3	y	y	PROPN
ajset-646	267	4	|	|	ADV
ajset-646	267	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	267	6	associated	associate	VERB
ajset-646	267	7	free	free	ADJ
ajset-646	267	8	-	-	PUNCT
ajset-646	267	9	energy	energy	NOUN
ajset-646	267	10	change	change	NOUN
ajset-646	267	11	of	of	ADP
ajset-646	267	12	0.324	0.324	NUM
ajset-646	267	13	ev	ev	X
ajset-646	267	14	(	(	PUNCT
ajset-646	267	15	7.47	7.47	NUM
ajset-646	267	16	kcal	kcal	NOUN
ajset-646	267	17	/	/	SYM
ajset-646	267	18	mol	mol	NOUN
ajset-646	267	19	)	)	PUNCT
ajset-646	267	20	.	.	PUNCT
ajset-646	268	1	the	the	DET
ajset-646	268	2	second	second	ADJ
ajset-646	268	3	electrochemical	electrochemical	ADJ
ajset-646	268	4	reaction	reaction	NOUN
ajset-646	268	5	involving	involve	VERB
ajset-646	268	6	intermediates	intermediate	NOUN
ajset-646	268	7	4	4	NUM
ajset-646	268	8	→	→	SYM
ajset-646	268	9	1	1	NUM
ajset-646	268	10	,	,	PUNCT
ajset-646	268	11	show	show	VERB
ajset-646	268	12	significant	significant	ADJ
ajset-646	268	13	deviation	deviation	NOUN
ajset-646	268	14	between	between	ADP
ajset-646	268	15	type	type	NOUN
ajset-646	268	16	-	-	PUNCT
ajset-646	268	17	i	i	NOUN
ajset-646	268	18	and	and	CCONJ
ajset-646	268	19	type	type	NOUN
ajset-646	268	20	-	-	PUNCT
ajset-646	268	21	ii	ii	NOUN
ajset-646	268	22	h2	h2	NOUN
ajset-646	268	23	bond	bond	NOUN
ajset-646	268	24	cleaved	cleaved	ADJ
ajset-646	268	25	routes	route	NOUN
ajset-646	268	26	.	.	PUNCT
ajset-646	269	1	focusing	focus	VERB
ajset-646	269	2	on	on	ADP
ajset-646	269	3	the	the	DET
ajset-646	269	4	h2	h2	NOUN
ajset-646	269	5	adduct	adduct	NOUN
ajset-646	269	6	that	that	PRON
ajset-646	269	7	is	be	AUX
ajset-646	269	8	formed	form	VERB
ajset-646	269	9	in	in	ADP
ajset-646	269	10	intermediate	intermediate	ADJ
ajset-646	269	11	1	1	NUM
ajset-646	269	12	,	,	PUNCT
ajset-646	269	13	before	before	ADP
ajset-646	269	14	release	release	NOUN
ajset-646	269	15	of	of	ADP
ajset-646	269	16	the	the	DET
ajset-646	269	17	h2	h2	NOUN
ajset-646	269	18	molecule	molecule	NOUN
ajset-646	269	19	,	,	PUNCT
ajset-646	269	20	intermediate	intermediate	ADJ
ajset-646	269	21	1a	1a	X
ajset-646	269	22	is	be	AUX
ajset-646	269	23	0.369	0.369	NUM
ajset-646	269	24	ev	ev	NOUN
ajset-646	269	25	higher	high	ADJ
ajset-646	269	26	in	in	ADP
ajset-646	269	27	energy	energy	NOUN
ajset-646	269	28	than	than	ADP
ajset-646	269	29	intermediate	intermediate	ADJ
ajset-646	269	30	(	(	PUNCT
ajset-646	269	31	1b	1b	NUM
ajset-646	269	32	)	)	PUNCT
ajset-646	269	33	.	.	PUNCT
ajset-646	270	1	however	however	ADV
ajset-646	270	2	,	,	PUNCT
ajset-646	270	3	since	since	SCONJ
ajset-646	270	4	the	the	DET
ajset-646	270	5	intermediate	intermediate	ADJ
ajset-646	270	6	(	(	PUNCT
ajset-646	270	7	1a	1a	X
ajset-646	270	8	)	)	PUNCT
ajset-646	270	9	is	be	AUX
ajset-646	270	10	higher	high	ADJ
ajset-646	270	11	in	in	ADP
ajset-646	270	12	energy	energy	NOUN
ajset-646	270	13	than	than	ADP
ajset-646	270	14	the	the	DET
ajset-646	270	15	dihydrogen	dihydrogen	NOUN
ajset-646	270	16	complex	complex	NOUN
ajset-646	270	17	(	(	PUNCT
ajset-646	270	18	iii	iii	NOUN
ajset-646	270	19	)	)	PUNCT
ajset-646	270	20	then	then	ADV
ajset-646	270	21	h2	h2	NOUN
ajset-646	270	22	release	release	NOUN
ajset-646	270	23	is	be	AUX
ajset-646	270	24	favored	favor	VERB
ajset-646	270	25	,	,	PUNCT
ajset-646	270	26	making	make	VERB
ajset-646	270	27	this	this	DET
ajset-646	270	28	route	route	NOUN
ajset-646	270	29	consistent	consistent	ADJ
ajset-646	270	30	with	with	ADP
ajset-646	270	31	the	the	DET
ajset-646	270	32	experimentally	experimentally	ADV
ajset-646	270	33	characterized	characterize	VERB
ajset-646	270	34	results	result	NOUN
ajset-646	270	35	of	of	ADP
ajset-646	270	36	the	the	DET
ajset-646	270	37	h2	h2	NOUN
ajset-646	270	38	production	production	NOUN
ajset-646	270	39	catalyst	catalyst	NOUN
ajset-646	270	40	.	.	PUNCT
ajset-646	271	1	the	the	DET
ajset-646	271	2	dihydrogen	dihydrogen	NOUN
ajset-646	271	3	h2	h2	PROPN
ajset-646	271	4	adduct	adduct	NOUN
ajset-646	271	5	was	be	AUX
ajset-646	271	6	chosen	choose	VERB
ajset-646	271	7	as	as	SCONJ
ajset-646	271	8	the	the	DET
ajset-646	271	9	reference	reference	NOUN
ajset-646	271	10	compound	compound	VERB
ajset-646	271	11	for	for	ADP
ajset-646	271	12	this	this	DET
ajset-646	271	13	comparison	comparison	NOUN
ajset-646	271	14	.	.	PUNCT
ajset-646	272	1	fig	fig	NOUN
ajset-646	272	2	.	.	PUNCT
ajset-646	273	1	9	9	X
ajset-646	273	2	.	.	X
ajset-646	273	3	type	type	NOUN
ajset-646	273	4	-	-	PUNCT
ajset-646	273	5	ii	ii	NOUN
ajset-646	273	6	h2	h2	NOUN
ajset-646	273	7	bond	bond	NOUN
ajset-646	273	8	cleaved	cleaved	ADJ
ajset-646	273	9	path	path	NOUN
ajset-646	273	10	1	1	NUM
ajset-646	273	11	for	for	ADP
ajset-646	273	12	h2	h2	NOUN
ajset-646	273	13	production	production	NOUN
ajset-646	273	14	of	of	ADP
ajset-646	273	15	the	the	DET
ajset-646	273	16	[	[	X
ajset-646	273	17	ni(pph	ni(pph	PROPN
ajset-646	273	18	2n	2n	NUM
ajset-646	273	19	ph	ph	PROPN
ajset-646	273	20	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	273	21	)	)	PUNCT
ajset-646	273	22	]	]	PUNCT
ajset-646	273	23	model	model	NOUN
ajset-646	273	24	catalyst	catalyst	NOUN
ajset-646	273	25	.	.	PUNCT
ajset-646	274	1	the	the	DET
ajset-646	274	2	intermediates	intermediate	NOUN
ajset-646	274	3	along	along	ADP
ajset-646	274	4	this	this	DET
ajset-646	274	5	path	path	NOUN
ajset-646	274	6	are	be	AUX
ajset-646	274	7	0	0	NUM
ajset-646	274	8	6a	6a	NOUN
ajset-646	274	9	5	5	NUM
ajset-646	274	10	4	4	NUM
ajset-646	274	11	3a	3a	NUM
ajset-646	274	12	2a	2a	NUM
ajset-646	274	13	1a	1a	NOUN
ajset-646	274	14	0	0	X
ajset-646	274	15	.	.	X
ajset-646	274	16	fig	fig	NOUN
ajset-646	274	17	.	.	PUNCT
ajset-646	275	1	9	9	NUM
ajset-646	275	2	summarizes	summarize	NOUN
ajset-646	275	3	the	the	DET
ajset-646	275	4	type	type	NOUN
ajset-646	275	5	-	-	PUNCT
ajset-646	275	6	ii	ii	NOUN
ajset-646	275	7	h2	h2	NOUN
ajset-646	275	8	bond	bond	NOUN
ajset-646	275	9	cleaved	cleave	VERB
ajset-646	275	10	mechanistic	mechanistic	ADJ
ajset-646	275	11	route	route	NOUN
ajset-646	275	12	1	1	NUM
ajset-646	275	13	for	for	ADP
ajset-646	275	14	the	the	DET
ajset-646	275	15	[	[	X
ajset-646	275	16	ni(pph	ni(pph	PROPN
ajset-646	275	17	2n	2n	NUM
ajset-646	275	18	ph	ph	PROPN
ajset-646	275	19	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	275	20	)	)	PUNCT
ajset-646	275	21	]	]	PUNCT
ajset-646	275	22	model	model	NOUN
ajset-646	275	23	.	.	PUNCT
ajset-646	276	1	under	under	ADP
ajset-646	276	2	the	the	DET
ajset-646	276	3	appropriate	appropriate	ADJ
ajset-646	276	4	ph	ph	ADJ
ajset-646	276	5	conditions	condition	NOUN
ajset-646	276	6	,	,	PUNCT
ajset-646	276	7	a	a	DET
ajset-646	276	8	proton	proton	NOUN
ajset-646	276	9	from	from	ADP
ajset-646	276	10	the	the	DET
ajset-646	276	11	solution	solution	NOUN
ajset-646	276	12	can	can	AUX
ajset-646	276	13	attach	attach	VERB
ajset-646	276	14	to	to	ADP
ajset-646	276	15	the	the	DET
ajset-646	276	16	catalyst	catalyst	NOUN
ajset-646	276	17	at	at	ADP
ajset-646	276	18	a	a	DET
ajset-646	276	19	nitrogen	nitrogen	NOUN
ajset-646	276	20	base	base	NOUN
ajset-646	276	21	site	site	NOUN
ajset-646	276	22	(	(	PUNCT
ajset-646	276	23	6b	6b	NOUN
ajset-646	276	24	)	)	PUNCT
ajset-646	276	25	,	,	PUNCT
ajset-646	276	26	or	or	CCONJ
ajset-646	276	27	an	an	DET
ajset-646	276	28	electron	electron	NOUN
ajset-646	276	29	from	from	ADP
ajset-646	276	30	an	an	DET
ajset-646	276	31	applied	apply	VERB
ajset-646	276	32	potential	potential	NOUN
ajset-646	276	33	can	can	AUX
ajset-646	276	34	reduce	reduce	VERB
ajset-646	276	35	the	the	DET
ajset-646	276	36	metal	metal	NOUN
ajset-646	276	37	center	center	NOUN
ajset-646	276	38	,	,	PUNCT
ajset-646	276	39	from	from	ADP
ajset-646	276	40	niii	niii	NOUN
ajset-646	276	41	to	to	ADP
ajset-646	276	42	nii	nii	PROPN
ajset-646	276	43	(	(	PUNCT
ajset-646	276	44	6a	6a	NOUN
ajset-646	276	45	)	)	PUNCT
ajset-646	276	46	.	.	PUNCT
ajset-646	277	1	depending	depend	VERB
ajset-646	277	2	on	on	ADP
ajset-646	277	3	whether	whether	SCONJ
ajset-646	277	4	intermediate	intermediate	ADJ
ajset-646	277	5	(	(	PUNCT
ajset-646	277	6	6a	6a	NOUN
ajset-646	277	7	)	)	PUNCT
ajset-646	277	8	or	or	CCONJ
ajset-646	277	9	(	(	PUNCT
ajset-646	277	10	6b	6b	NOUN
ajset-646	277	11	)	)	PUNCT
ajset-646	277	12	is	be	AUX
ajset-646	277	13	formed	form	VERB
ajset-646	277	14	,	,	PUNCT
ajset-646	277	15	a	a	DET
ajset-646	277	16	subsequent	subsequent	ADJ
ajset-646	277	17	electron	electron	NOUN
ajset-646	277	18	transfer	transfer	NOUN
ajset-646	277	19	(	(	PUNCT
ajset-646	277	20	et	et	NOUN
ajset-646	277	21	)	)	PUNCT
ajset-646	277	22	or	or	CCONJ
ajset-646	277	23	proton	proton	NOUN
ajset-646	277	24	transfer	transfer	NOUN
ajset-646	277	25	(	(	PUNCT
ajset-646	277	26	pt	pt	NOUN
ajset-646	277	27	)	)	PUNCT
ajset-646	277	28	leads	lead	VERB
ajset-646	277	29	to	to	ADP
ajset-646	277	30	the	the	DET
ajset-646	277	31	reduced	reduce	VERB
ajset-646	277	32	metal	metal	NOUN
ajset-646	277	33	with	with	ADP
ajset-646	277	34	a	a	DET
ajset-646	277	35	protonated	protonate	VERB
ajset-646	277	36	base	base	NOUN
ajset-646	277	37	,	,	PUNCT
ajset-646	277	38	intermediate	intermediate	ADJ
ajset-646	277	39	(	(	PUNCT
ajset-646	277	40	5	5	NUM
ajset-646	277	41	)	)	PUNCT
ajset-646	277	42	.	.	PUNCT
ajset-646	278	1	the	the	DET
ajset-646	278	2	increased	increase	VERB
ajset-646	278	3	basicity	basicity	NOUN
ajset-646	278	4	of	of	ADP
ajset-646	278	5	the	the	DET
ajset-646	278	6	metal	metal	NOUN
ajset-646	278	7	center	center	NOUN
ajset-646	278	8	then	then	ADV
ajset-646	278	9	causes	cause	VERB
ajset-646	278	10	the	the	DET
ajset-646	278	11	proton	proton	NOUN
ajset-646	278	12	to	to	PART
ajset-646	278	13	transfer	transfer	VERB
ajset-646	278	14	from	from	ADP
ajset-646	278	15	the	the	DET
ajset-646	278	16	pendent	pendent	ADJ
ajset-646	278	17	base	base	NOUN
ajset-646	278	18	to	to	ADP
ajset-646	278	19	the	the	DET
ajset-646	278	20	metal	metal	NOUN
ajset-646	278	21	to	to	PART
ajset-646	278	22	form	form	VERB
ajset-646	278	23	the	the	DET
ajset-646	278	24	metal	metal	NOUN
ajset-646	278	25	-	-	PUNCT
ajset-646	278	26	hydride	hydride	NOUN
ajset-646	278	27	,	,	PUNCT
ajset-646	278	28	intermediate	intermediate	ADJ
ajset-646	278	29	(	(	PUNCT
ajset-646	278	30	4	4	NUM
ajset-646	278	31	)	)	PUNCT
ajset-646	278	32	,	,	PUNCT
ajset-646	278	33	through	through	ADP
ajset-646	278	34	an	an	DET
ajset-646	278	35	oxidative	oxidative	ADJ
ajset-646	278	36	addition	addition	NOUN
ajset-646	278	37	reaction	reaction	NOUN
ajset-646	278	38	(	(	PUNCT
ajset-646	278	39	fig	fig	NOUN
ajset-646	278	40	.	.	PUNCT
ajset-646	279	1	3	3	NUM
ajset-646	279	2	,	,	PUNCT
ajset-646	279	3	step	step	NOUN
ajset-646	279	4	5	5	NUM
ajset-646	279	5	→	→	SYM
ajset-646	279	6	4	4	NUM
ajset-646	279	7	)	)	PUNCT
ajset-646	279	8	.	.	PUNCT
ajset-646	280	1	the	the	DET
ajset-646	280	2	next	next	ADJ
ajset-646	280	3	step	step	NOUN
ajset-646	280	4	(	(	PUNCT
ajset-646	280	5	fig	fig	NOUN
ajset-646	280	6	.	.	PUNCT
ajset-646	281	1	3	3	NUM
ajset-646	281	2	,	,	PUNCT
ajset-646	281	3	step	step	NOUN
ajset-646	281	4	4	4	NUM
ajset-646	281	5	→	→	SYM
ajset-646	281	6	3	3	NUM
ajset-646	281	7	)	)	PUNCT
ajset-646	281	8	,	,	PUNCT
ajset-646	281	9	is	be	AUX
ajset-646	281	10	again	again	ADV
ajset-646	281	11	determined	determine	VERB
ajset-646	281	12	by	by	ADP
ajset-646	281	13	the	the	DET
ajset-646	281	14	ph	ph	NOUN
ajset-646	281	15	of	of	ADP
ajset-646	281	16	the	the	DET
ajset-646	281	17	solution	solution	NOUN
ajset-646	281	18	or	or	CCONJ
ajset-646	281	19	the	the	DET
ajset-646	281	20	applied	apply	VERB
ajset-646	281	21	potential	potential	NOUN
ajset-646	281	22	.	.	PUNCT
ajset-646	282	1	if	if	SCONJ
ajset-646	282	2	the	the	DET
ajset-646	282	3	ph	ph	NOUN
ajset-646	282	4	allows	allow	VERB
ajset-646	282	5	for	for	ADP
ajset-646	282	6	the	the	DET
ajset-646	282	7	availability	availability	NOUN
ajset-646	282	8	of	of	ADP
ajset-646	282	9	protons	proton	NOUN
ajset-646	282	10	,	,	PUNCT
ajset-646	282	11	the	the	DET
ajset-646	282	12	base	base	NOUN
ajset-646	282	13	becomes	become	VERB
ajset-646	282	14	protonated	protonate	VERB
ajset-646	282	15	,	,	PUNCT
ajset-646	282	16	forming	form	VERB
ajset-646	282	17	the	the	DET
ajset-646	282	18	metal	metal	NOUN
ajset-646	282	19	-	-	PUNCT
ajset-646	282	20	hydride	hydride	NOUN
ajset-646	282	21	with	with	ADP
ajset-646	282	22	a	a	DET
ajset-646	282	23	protonated	protonate	VERB
ajset-646	282	24	base	base	NOUN
ajset-646	282	25	(	(	PUNCT
ajset-646	282	26	3b	3b	NUM
ajset-646	282	27	)	)	PUNCT
ajset-646	282	28	.	.	PUNCT
ajset-646	283	1	otherwise	otherwise	ADV
ajset-646	283	2	,	,	PUNCT
ajset-646	283	3	an	an	DET
ajset-646	283	4	appropriate	appropriate	ADJ
ajset-646	283	5	applied	apply	VERB
ajset-646	283	6	potential	potential	ADJ
ajset-646	283	7	forms	form	NOUN
ajset-646	283	8	the	the	DET
ajset-646	283	9	reduced	reduce	VERB
ajset-646	283	10	metal	metal	NOUN
ajset-646	283	11	-	-	PUNCT
ajset-646	283	12	hydride	hydride	NOUN
ajset-646	283	13	(	(	PUNCT
ajset-646	283	14	3a	3a	NUM
ajset-646	283	15	)	)	PUNCT
ajset-646	283	16	.	.	PUNCT
ajset-646	284	1	of	of	ADP
ajset-646	284	2	the	the	DET
ajset-646	284	3	two	two	NUM
ajset-646	284	4	intermediates	intermediate	NOUN
ajset-646	284	5	formed	form	VERB
ajset-646	284	6	in	in	ADP
ajset-646	284	7	step	step	NOUN
ajset-646	284	8	4	4	NUM
ajset-646	284	9	→	→	SYM
ajset-646	284	10	3	3	NUM
ajset-646	284	11	,	,	PUNCT
ajset-646	284	12	(	(	PUNCT
ajset-646	284	13	3a	3a	NUM
ajset-646	284	14	)	)	PUNCT
ajset-646	284	15	and	and	CCONJ
ajset-646	284	16	(	(	PUNCT
ajset-646	284	17	3b	3b	NUM
ajset-646	284	18	)	)	PUNCT
ajset-646	284	19	,	,	PUNCT
ajset-646	284	20	each	each	PRON
ajset-646	284	21	has	have	VERB
ajset-646	284	22	two	two	NUM
ajset-646	284	23	alternatives	alternative	NOUN
ajset-646	284	24	along	along	ADP
ajset-646	284	25	the	the	DET
ajset-646	284	26	reaction	reaction	NOUN
ajset-646	284	27	coordinate	coordinate	NOUN
ajset-646	284	28	to	to	ADP
ajset-646	284	29	h2	h2	NOUN
ajset-646	284	30	production	production	NOUN
ajset-646	284	31	.	.	PUNCT
ajset-646	285	1	if	if	SCONJ
ajset-646	285	2	the	the	DET
ajset-646	285	3	reduced	reduce	VERB
ajset-646	285	4	metal	metal	NOUN
ajset-646	285	5	-	-	PUNCT
ajset-646	285	6	hydride	hydride	NOUN
ajset-646	285	7	(	(	PUNCT
ajset-646	285	8	3a	3a	NUM
ajset-646	285	9	)	)	PUNCT
ajset-646	285	10	is	be	AUX
ajset-646	285	11	formed	form	VERB
ajset-646	285	12	,	,	PUNCT
ajset-646	285	13	it	it	PRON
ajset-646	285	14	can	can	AUX
ajset-646	285	15	undergo	undergo	VERB
ajset-646	285	16	pt	pt	NOUN
ajset-646	285	17	immediately	immediately	ADV
ajset-646	285	18	or	or	CCONJ
ajset-646	285	19	as	as	ADP
ajset-646	285	20	a	a	DET
ajset-646	285	21	second	second	ADJ
ajset-646	285	22	step	step	NOUN
ajset-646	285	23	after	after	ADP
ajset-646	285	24	reductive	reductive	ADJ
ajset-646	285	25	elimination	elimination	NOUN
ajset-646	285	26	.	.	PUNCT
ajset-646	286	1	if	if	SCONJ
ajset-646	286	2	the	the	DET
ajset-646	286	3	pt	pt	PROPN
ajset-646	286	4	from	from	ADP
ajset-646	286	5	the	the	DET
ajset-646	286	6	solution	solution	NOUN
ajset-646	286	7	to	to	ADP
ajset-646	286	8	the	the	DET
ajset-646	286	9	catalyst	catalyst	NOUN
ajset-646	286	10	is	be	AUX
ajset-646	286	11	favored	favor	VERB
ajset-646	286	12	,	,	PUNCT
ajset-646	286	13	the	the	DET
ajset-646	286	14	type	type	NOUN
ajset-646	286	15	-	-	PUNCT
ajset-646	286	16	i	i	NOUN
ajset-646	286	17	h2	h2	NOUN
ajset-646	286	18	bond	bond	NOUN
ajset-646	286	19	cleaved	cleave	VERB
ajset-646	286	20	intermediate	intermediate	ADJ
ajset-646	286	21	(	(	PUNCT
ajset-646	286	22	1b	1b	NUM
ajset-646	286	23	)	)	PUNCT
ajset-646	286	24	is	be	AUX
ajset-646	286	25	formed	form	VERB
ajset-646	286	26	.	.	PUNCT
ajset-646	287	1	if	if	SCONJ
ajset-646	287	2	reductive	reductive	ADJ
ajset-646	287	3	elimination	elimination	NOUN
ajset-646	287	4	is	be	AUX
ajset-646	287	5	favored	favor	VERB
ajset-646	287	6	,	,	PUNCT
ajset-646	287	7	the	the	DET
ajset-646	287	8	hydride	hydride	NOUN
ajset-646	287	9	transfers	transfer	NOUN
ajset-646	287	10	from	from	ADP
ajset-646	287	11	the	the	DET
ajset-646	287	12	metal	metal	NOUN
ajset-646	287	13	to	to	PART
ajset-646	287	14	form	form	VERB
ajset-646	287	15	a	a	DET
ajset-646	287	16	proton	proton	NOUN
ajset-646	287	17	on	on	ADP
ajset-646	287	18	the	the	DET
ajset-646	287	19	pendent	pendent	ADJ
ajset-646	287	20	base	base	NOUN
ajset-646	287	21	as	as	ADP
ajset-646	287	22	intermediate	intermediate	ADJ
ajset-646	287	23	(	(	PUNCT
ajset-646	287	24	2a	2a	NUM
ajset-646	287	25	)	)	PUNCT
ajset-646	287	26	.	.	PUNCT
ajset-646	288	1	then	then	ADV
ajset-646	288	2	under	under	ADP
ajset-646	288	3	the	the	DET
ajset-646	288	4	appropriate	appropriate	ADJ
ajset-646	288	5	ph	ph	ADJ
ajset-646	288	6	conditions	condition	NOUN
ajset-646	288	7	,	,	PUNCT
ajset-646	288	8	a	a	DET
ajset-646	288	9	second	second	ADJ
ajset-646	288	10	pendent	pendent	ADJ
ajset-646	288	11	base	base	NOUN
ajset-646	288	12	becomes	become	VERB
ajset-646	288	13	protonated	protonated	ADJ
ajset-646	288	14	forming	form	VERB
ajset-646	288	15	the	the	DET
ajset-646	288	16	type	type	NOUN
ajset-646	288	17	-	-	PUNCT
ajset-646	288	18	ii	ii	NOUN
ajset-646	288	19	h2	h2	NOUN
ajset-646	288	20	bond	bond	NOUN
ajset-646	288	21	cleaved	cleave	VERB
ajset-646	288	22	intermediate	intermediate	ADJ
ajset-646	288	23	(	(	PUNCT
ajset-646	288	24	1a	1a	NUM
ajset-646	288	25	)	)	PUNCT
ajset-646	288	26	.	.	PUNCT
ajset-646	289	1	if	if	SCONJ
ajset-646	289	2	the	the	DET
ajset-646	289	3	metalhydride	metalhydride	NOUN
ajset-646	289	4	with	with	ADP
ajset-646	289	5	the	the	DET
ajset-646	289	6	protonated	protonate	VERB
ajset-646	289	7	base	base	NOUN
ajset-646	289	8	,	,	PUNCT
ajset-646	289	9	intermediate	intermediate	ADJ
ajset-646	289	10	(	(	PUNCT
ajset-646	289	11	3b	3b	NUM
ajset-646	289	12	)	)	PUNCT
ajset-646	289	13	,	,	PUNCT
ajset-646	289	14	is	be	AUX
ajset-646	289	15	formed	form	VERB
ajset-646	289	16	,	,	PUNCT
ajset-646	289	17	it	it	PRON
ajset-646	289	18	can	can	AUX
ajset-646	289	19	either	either	CCONJ
ajset-646	289	20	undergo	undergo	VERB
ajset-646	289	21	a	a	DET
ajset-646	289	22	one	one	NUM
ajset-646	289	23	-	-	PUNCT
ajset-646	289	24	electron	electron	NOUN
ajset-646	289	25	reduction	reduction	NOUN
ajset-646	289	26	immediately	immediately	ADV
ajset-646	289	27	or	or	CCONJ
ajset-646	289	28	as	as	ADP
ajset-646	289	29	a	a	DET
ajset-646	289	30	second	second	ADJ
ajset-646	289	31	step	step	NOUN
ajset-646	289	32	after	after	ADP
ajset-646	289	33	reductive	reductive	ADJ
ajset-646	289	34	elimination	elimination	NOUN
ajset-646	289	35	.	.	PUNCT
ajset-646	290	1	if	if	SCONJ
ajset-646	290	2	the	the	DET
ajset-646	290	3	reduction	reduction	NOUN
ajset-646	290	4	occurs	occur	VERB
ajset-646	290	5	immediately	immediately	ADV
ajset-646	290	6	,	,	PUNCT
ajset-646	290	7	the	the	DET
ajset-646	290	8	type	type	NOUN
ajset-646	290	9	-	-	PUNCT
ajset-646	290	10	i	i	NOUN
ajset-646	290	11	h2	h2	NOUN
ajset-646	290	12	bond	bond	NOUN
ajset-646	290	13	cleaved	cleave	VERB
ajset-646	290	14	intermediate	intermediate	ADJ
ajset-646	291	1	[	[	X
ajset-646	291	2	niii(h-)nh+]2	niii(h-)nh+]2	X
ajset-646	291	3	+	+	X
ajset-646	291	4	intermediate	intermediate	ADJ
ajset-646	291	5	(	(	PUNCT
ajset-646	291	6	1b	1b	NUM
ajset-646	291	7	)	)	PUNCT
ajset-646	291	8	is	be	AUX
ajset-646	291	9	formed	form	VERB
ajset-646	291	10	.	.	PUNCT
ajset-646	292	1	if	if	SCONJ
ajset-646	292	2	the	the	DET
ajset-646	292	3	reduction	reduction	NOUN
ajset-646	292	4	occurs	occur	VERB
ajset-646	292	5	as	as	ADP
ajset-646	292	6	a	a	DET
ajset-646	292	7	second	second	ADJ
ajset-646	292	8	step	step	NOUN
ajset-646	292	9	,	,	PUNCT
ajset-646	292	10	reductive	reductive	ADJ
ajset-646	292	11	elimination	elimination	NOUN
ajset-646	292	12	forms	form	NOUN
ajset-646	292	13	[	[	X
ajset-646	292	14	+	+	ADJ
ajset-646	292	15	hn	hn	PROPN
ajset-646	292	16	-	-	PUNCT
ajset-646	292	17	nii	nii	NOUN
ajset-646	292	18	-	-	ADJ
ajset-646	292	19	nh+]3	nh+]3	ADJ
ajset-646	292	20	+	+	NOUN
ajset-646	292	21	as	as	ADV
ajset-646	292	22	intermediate	intermediate	ADJ
ajset-646	292	23	(	(	PUNCT
ajset-646	292	24	2b	2b	NOUN
ajset-646	292	25	)	)	PUNCT
ajset-646	292	26	first	first	ADV
ajset-646	292	27	,	,	PUNCT
ajset-646	292	28	then	then	ADV
ajset-646	292	29	forms	form	VERB
ajset-646	292	30	the	the	DET
ajset-646	292	31	type	type	NOUN
ajset-646	292	32	-	-	PUNCT
ajset-646	292	33	ii	ii	NOUN
ajset-646	292	34	h2	h2	NOUN
ajset-646	292	35	bond	bond	NOUN
ajset-646	292	36	cleaved	cleave	VERB
ajset-646	293	1	[	[	X
ajset-646	293	2	+	+	ADJ
ajset-646	293	3	hn	hn	PROPN
ajset-646	293	4	-	-	PUNCT
ajset-646	293	5	ni0	ni0	NOUN
ajset-646	293	6	-	-	PUNCT
ajset-646	293	7	nh+]2	nh+]2	NOUN
ajset-646	293	8	+	+	CCONJ
ajset-646	293	9	as	as	ADP
ajset-646	293	10	intermediate	intermediate	ADJ
ajset-646	293	11	(	(	PUNCT
ajset-646	293	12	1a	1a	NUM
ajset-646	293	13	)	)	PUNCT
ajset-646	293	14	.	.	PUNCT
ajset-646	294	1	in	in	ADP
ajset-646	294	2	the	the	DET
ajset-646	294	3	last	last	ADJ
ajset-646	294	4	step	step	NOUN
ajset-646	294	5	0	0	NUM
ajset-646	294	6	→	→	SYM
ajset-646	294	7	1	1	NUM
ajset-646	294	8	,	,	PUNCT
ajset-646	294	9	the	the	DET
ajset-646	294	10	two	two	NUM
ajset-646	294	11	hydrogen	hydrogen	NOUN
ajset-646	294	12	ions	ion	NOUN
ajset-646	294	13	on	on	ADP
ajset-646	294	14	the	the	DET
ajset-646	294	15	molecular	molecular	ADJ
ajset-646	294	16	catalyst	catalyst	NOUN
ajset-646	294	17	combine	combine	NOUN
ajset-646	294	18	with	with	ADP
ajset-646	294	19	two	two	NUM
ajset-646	294	20	electrons	electron	NOUN
ajset-646	294	21	from	from	ADP
ajset-646	294	22	the	the	DET
ajset-646	294	23	metal	metal	NOUN
ajset-646	294	24	to	to	PART
ajset-646	294	25	release	release	VERB
ajset-646	294	26	an	an	DET
ajset-646	294	27	h2	h2	NOUN
ajset-646	294	28	molecule	molecule	NOUN
ajset-646	294	29	.	.	PUNCT
ajset-646	295	1	2	2	X
ajset-646	295	2	.	.	X
ajset-646	295	3	h2	h2	NOUN
ajset-646	295	4	oxidation	oxidation	NOUN
ajset-646	295	5	in	in	ADP
ajset-646	295	6	[	[	X
ajset-646	295	7	ni(pcy	ni(pcy	ADP
ajset-646	295	8	2nbz	2nbz	PROPN
ajset-646	295	9	2)2	2)2	NOUN
ajset-646	295	10	]	]	PUNCT
ajset-646	295	11	.	.	PUNCT
ajset-646	296	1	free	free	ADJ
ajset-646	296	2	energy	energy	NOUN
ajset-646	296	3	calculations	calculation	NOUN
ajset-646	296	4	of	of	ADP
ajset-646	296	5	similar	similar	ADJ
ajset-646	296	6	type	type	NOUN
ajset-646	296	7	-	-	PUNCT
ajset-646	296	8	i	i	NOUN
ajset-646	296	9	and	and	CCONJ
ajset-646	296	10	type	type	NOUN
ajset-646	296	11	-	-	PUNCT
ajset-646	296	12	ii	ii	NOUN
ajset-646	296	13	h2	h2	NOUN
ajset-646	296	14	bond	bond	NOUN
ajset-646	296	15	cleaved	cleave	VERB
ajset-646	296	16	pathways	pathway	NOUN
ajset-646	296	17	in	in	ADP
ajset-646	296	18	the	the	DET
ajset-646	296	19	catalytic	catalytic	ADJ
ajset-646	296	20	direction	direction	NOUN
ajset-646	296	21	for	for	ADP
ajset-646	296	22	h2	h2	NOUN
ajset-646	296	23	oxidation	oxidation	NOUN
ajset-646	296	24	with	with	ADP
ajset-646	296	25	the	the	DET
ajset-646	296	26	[	[	NOUN
ajset-646	296	27	ni(pcy	ni(pcy	ADJ
ajset-646	296	28	2n	2n	ADJ
ajset-646	296	29	bz	bz	PROPN
ajset-646	296	30	2)2	2)2	PROPN
ajset-646	296	31	]	]	PUNCT
ajset-646	296	32	model	model	NOUN
ajset-646	296	33	were	be	AUX
ajset-646	296	34	performed	perform	VERB
ajset-646	296	35	.	.	PUNCT
ajset-646	297	1	experimentally	experimentally	ADV
ajset-646	297	2	,	,	PUNCT
ajset-646	297	3	the	the	DET
ajset-646	297	4	[	[	X
ajset-646	297	5	ni(pcy	ni(pcy	ADJ
ajset-646	297	6	2n	2n	ADJ
ajset-646	297	7	bz	bz	PROPN
ajset-646	297	8	2)2	2)2	PROPN
ajset-646	297	9	]	]	PUNCT
ajset-646	297	10	catalyst	catalyst	NOUN
ajset-646	297	11	was	be	AUX
ajset-646	297	12	observed	observe	VERB
ajset-646	297	13	to	to	PART
ajset-646	297	14	favor	favor	VERB
ajset-646	297	15	h2	h2	NOUN
ajset-646	297	16	oxidation	oxidation	NOUN
ajset-646	297	17	,	,	PUNCT
ajset-646	297	18	so	so	CCONJ
ajset-646	297	19	here	here	ADV
ajset-646	297	20	we	we	PRON
ajset-646	297	21	explore	explore	VERB
ajset-646	297	22	comparisons	comparison	NOUN
ajset-646	297	23	to	to	ADP
ajset-646	297	24	the	the	DET
ajset-646	297	25	experimental	experimental	ADJ
ajset-646	297	26	system	system	NOUN
ajset-646	297	27	in	in	ADP
ajset-646	297	28	that	that	DET
ajset-646	297	29	catalytic	catalytic	ADJ
ajset-646	297	30	direction	direction	NOUN
ajset-646	297	31	.	.	PUNCT
ajset-646	298	1	figure	figure	NOUN
ajset-646	298	2	10	10	NUM
ajset-646	298	3	shows	show	VERB
ajset-646	298	4	the	the	DET
ajset-646	298	5	calculated	calculate	VERB
ajset-646	298	6	free	free	ADJ
ajset-646	298	7	-	-	PUNCT
ajset-646	298	8	energy	energy	NOUN
ajset-646	298	9	profile	profile	NOUN
ajset-646	298	10	of	of	ADP
ajset-646	298	11	this	this	DET
ajset-646	298	12	model	model	NOUN
ajset-646	298	13	at	at	ADP
ajset-646	298	14	ph	ph	NOUN
ajset-646	298	15	=	=	SYM
ajset-646	298	16	0	0	X
ajset-646	298	17	.	.	PUNCT
ajset-646	299	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	299	2	academic	academic	ADJ
ajset-646	299	3	journal	journal	NOUN
ajset-646	299	4	of	of	ADP
ajset-646	299	5	science	science	NOUN
ajset-646	299	6	,	,	PUNCT
ajset-646	299	7	engineering	engineering	NOUN
ajset-646	299	8	and	and	CCONJ
ajset-646	299	9	technology	technology	NOUN
ajset-646	299	10	vol.6	vol.6	PROPN
ajset-646	299	11	,	,	PUNCT
ajset-646	299	12	issue	issue	NOUN
ajset-646	299	13	5	5	NUM
ajset-646	299	14	;	;	PUNCT
ajset-646	299	15	september	september	PROPN
ajset-646	299	16	october	october	PROPN
ajset-646	299	17	2021	2021	NUM
ajset-646	299	18	;	;	PUNCT
ajset-646	299	19	1252	1252	NUM
ajset-646	299	20	columbia	columbia	PROPN
ajset-646	299	21	rd	rd	PROPN
ajset-646	299	22	nw	nw	PROPN
ajset-646	299	23	,	,	PUNCT
ajset-646	299	24	washington	washington	PROPN
ajset-646	299	25	dc	dc	PROPN
ajset-646	299	26	,	,	PUNCT
ajset-646	299	27	united	united	PROPN
ajset-646	299	28	states	states	PROPN
ajset-646	299	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	299	30	;	;	PUNCT
ajset-646	299	31	mail	mail	NOUN
ajset-646	299	32	:	:	PUNCT
ajset-646	299	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	300	1	15	15	NUM
ajset-646	301	1	|	|	ADV
ajset-646	301	2	a	a	DET
ajset-646	301	3	c	c	NOUN
ajset-646	301	4	a	a	PRON
ajset-646	301	5	d	d	X
ajset-646	301	6	e	e	NOUN
ajset-646	301	7	m	m	NOUN
ajset-646	301	8	i	i	NOUN
ajset-646	301	9	c	c	NOUN
ajset-646	301	10	j	j	NOUN
ajset-646	301	11	o	o	X
ajset-646	301	12	u	u	NOUN
ajset-646	301	13	r	r	NOUN
ajset-646	301	14	n	n	NOUN
ajset-646	301	15	a	a	DET
ajset-646	301	16	l	l	NOUN
ajset-646	302	1	o	o	X
ajset-646	302	2	f	f	X
ajset-646	302	3	s	s	X
ajset-646	302	4	c	c	NOUN
ajset-646	303	1	i	i	NOUN
ajset-646	303	2	e	e	PROPN
ajset-646	303	3	n	n	PROPN
ajset-646	303	4	c	c	NOUN
ajset-646	303	5	e	e	X
ajset-646	303	6	,	,	PUNCT
ajset-646	303	7	e	e	PROPN
ajset-646	303	8	n	n	PRON
ajset-646	303	9	g	g	NOUN
ajset-646	303	10	i	i	PRON
ajset-646	303	11	n	n	VERB
ajset-646	303	12	e	e	NOUN
ajset-646	303	13	e	e	NOUN
ajset-646	303	14	r	r	VERB
ajset-646	303	15	i	i	PRON
ajset-646	303	16	n	n	CCONJ
ajset-646	303	17	g	g	PROPN
ajset-646	303	18	a	a	DET
ajset-646	303	19	n	n	NOUN
ajset-646	303	20	d	d	NOUN
ajset-646	303	21	t	t	NOUN
ajset-646	303	22	e	e	X
ajset-646	303	23	c	c	NOUN
ajset-646	303	24	h	h	NOUN
ajset-646	303	25	n	n	ADV
ajset-646	303	26	o	o	NOUN
ajset-646	303	27	l	l	NOUN
ajset-646	304	1	o	o	X
ajset-646	304	2	g	g	NOUN
ajset-646	304	3	y	y	PROPN
ajset-646	304	4	|	|	ADV
ajset-646	304	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	304	6	fig	fig	NOUN
ajset-646	304	7	.	.	PUNCT
ajset-646	305	1	10	10	NUM
ajset-646	305	2	.	.	X
ajset-646	306	1	summary	summary	NOUN
ajset-646	306	2	of	of	ADP
ajset-646	306	3	mechanistic	mechanistic	ADJ
ajset-646	306	4	pathways	pathway	NOUN
ajset-646	306	5	leading	lead	VERB
ajset-646	306	6	to	to	ADP
ajset-646	306	7	h2	h2	NOUN
ajset-646	306	8	oxidation	oxidation	NOUN
ajset-646	306	9	with	with	ADP
ajset-646	306	10	the	the	DET
ajset-646	306	11	[	[	NOUN
ajset-646	306	12	ni(pcy	ni(pcy	ADJ
ajset-646	306	13	2n	2n	ADJ
ajset-646	306	14	bz	bz	PROPN
ajset-646	306	15	2)2	2)2	PROPN
ajset-646	306	16	]	]	PUNCT
ajset-646	306	17	model	model	NOUN
ajset-646	306	18	at	at	ADP
ajset-646	306	19	conditions	condition	NOUN
ajset-646	306	20	of	of	ADP
ajset-646	306	21	ph	ph	NOUN
ajset-646	306	22	=	=	SYM
ajset-646	306	23	0	0	PROPN
ajset-646	306	24	.	.	PUNCT
ajset-646	307	1	energy	energy	NOUN
ajset-646	307	2	differences	difference	NOUN
ajset-646	307	3	are	be	AUX
ajset-646	307	4	taken	take	VERB
ajset-646	307	5	with	with	ADP
ajset-646	307	6	respect	respect	NOUN
ajset-646	307	7	to	to	ADP
ajset-646	307	8	the	the	DET
ajset-646	307	9	first	first	ADJ
ajset-646	307	10	point	point	NOUN
ajset-646	307	11	and	and	CCONJ
ajset-646	307	12	normalized	normalize	VERB
ajset-646	307	13	to	to	ADP
ajset-646	307	14	the	the	DET
ajset-646	307	15	reversible	reversible	ADJ
ajset-646	307	16	hydrogen	hydrogen	NOUN
ajset-646	307	17	electrode	electrode	NOUN
ajset-646	307	18	(	(	PUNCT
ajset-646	307	19	rhe	rhe	NOUN
ajset-646	307	20	)	)	PUNCT
ajset-646	307	21	.	.	PUNCT
ajset-646	308	1	intermediates	intermediate	NOUN
ajset-646	308	2	involved	involve	VERB
ajset-646	308	3	in	in	ADP
ajset-646	308	4	each	each	DET
ajset-646	308	5	route	route	NOUN
ajset-646	308	6	are	be	AUX
ajset-646	308	7	:	:	PUNCT
ajset-646	308	8	type	type	NOUN
ajset-646	308	9	-	-	PUNCT
ajset-646	308	10	ii	ii	NOUN
ajset-646	308	11	path	path	NOUN
ajset-646	308	12	1	1	NUM
ajset-646	308	13	(	(	PUNCT
ajset-646	308	14	blue	blue	ADJ
ajset-646	308	15	):	):	PUNCT
ajset-646	308	16	0	0	NUM
ajset-646	308	17	1a	1a	PROPN
ajset-646	308	18	2a	2a	NUM
ajset-646	308	19	3a	3a	NUM
ajset-646	308	20	4	4	NUM
ajset-646	308	21	5	5	NUM
ajset-646	308	22	6a	6a	NOUN
ajset-646	308	23	0	0	NUM
ajset-646	308	24	.	.	PUNCT
ajset-646	308	25	type	type	NOUN
ajset-646	308	26	-	-	PUNCT
ajset-646	308	27	ii	ii	NOUN
ajset-646	308	28	path	path	NOUN
ajset-646	308	29	2	2	NUM
ajset-646	308	30	(	(	PUNCT
ajset-646	308	31	orange	orange	ADJ
ajset-646	308	32	):	):	PUNCT
ajset-646	308	33	0	0	NUM
ajset-646	308	34	1a	1a	X
ajset-646	308	35	2b	2b	NUM
ajset-646	308	36	3b	3b	NUM
ajset-646	308	37	4	4	NUM
ajset-646	308	38	5	5	NUM
ajset-646	308	39	6a	6a	NOUN
ajset-646	308	40	0	0	NUM
ajset-646	308	41	.	.	PUNCT
ajset-646	309	1	type	type	NOUN
ajset-646	309	2	-	-	PUNCT
ajset-646	309	3	i	i	PRON
ajset-646	309	4	path	path	NOUN
ajset-646	309	5	3	3	NUM
ajset-646	309	6	(	(	PUNCT
ajset-646	309	7	green	green	ADJ
ajset-646	309	8	):	):	PUNCT
ajset-646	309	9	0	0	NUM
ajset-646	309	10	1b	1b	NUM
ajset-646	309	11	3a	3a	NUM
ajset-646	309	12	4	4	NUM
ajset-646	309	13	5	5	NUM
ajset-646	309	14	6b	6b	NOUN
ajset-646	309	15	0	0	NUM
ajset-646	309	16	.	.	PUNCT
ajset-646	310	1	type	type	NOUN
ajset-646	310	2	-	-	PUNCT
ajset-646	310	3	i	i	PRON
ajset-646	310	4	path	path	NOUN
ajset-646	310	5	4	4	NUM
ajset-646	310	6	(	(	PUNCT
ajset-646	310	7	purple	purple	ADJ
ajset-646	310	8	):	):	PUNCT
ajset-646	310	9	0	0	NUM
ajset-646	310	10	1b	1b	NUM
ajset-646	310	11	3b	3b	NUM
ajset-646	310	12	4	4	NUM
ajset-646	310	13	5	5	NUM
ajset-646	310	14	6b	6b	NOUN
ajset-646	310	15	0	0	NUM
ajset-646	310	16	.	.	PUNCT
ajset-646	311	1	in	in	ADP
ajset-646	311	2	figure	figure	NOUN
ajset-646	311	3	10	10	NUM
ajset-646	311	4	,	,	PUNCT
ajset-646	311	5	the	the	DET
ajset-646	311	6	reference	reference	NOUN
ajset-646	311	7	compound	compound	VERB
ajset-646	311	8	for	for	ADP
ajset-646	311	9	which	which	PRON
ajset-646	311	10	the	the	DET
ajset-646	311	11	energies	energy	NOUN
ajset-646	311	12	are	be	AUX
ajset-646	311	13	plotted	plot	VERB
ajset-646	311	14	is	be	AUX
ajset-646	311	15	the	the	DET
ajset-646	311	16	dihydrogen	dihydrogen	NOUN
ajset-646	311	17	adduct	adduct	NOUN
ajset-646	311	18	(	(	PUNCT
ajset-646	311	19	ii	ii	NOUN
ajset-646	311	20	)	)	PUNCT
ajset-646	311	21	,	,	PUNCT
ajset-646	311	22	chosen	choose	VERB
ajset-646	311	23	for	for	ADP
ajset-646	311	24	its	its	PRON
ajset-646	311	25	low	low	ADJ
ajset-646	311	26	energy	energy	NOUN
ajset-646	311	27	stability	stability	NOUN
ajset-646	311	28	compared	compare	VERB
ajset-646	311	29	to	to	ADP
ajset-646	311	30	the	the	DET
ajset-646	311	31	other	other	ADJ
ajset-646	311	32	calculated	calculate	VERB
ajset-646	311	33	h2	h2	NOUN
ajset-646	311	34	adducts	adduct	NOUN
ajset-646	311	35	.	.	PUNCT
ajset-646	312	1	panel	panel	NOUN
ajset-646	312	2	(	(	PUNCT
ajset-646	312	3	a	a	NOUN
ajset-646	312	4	)	)	PUNCT
ajset-646	312	5	shows	show	VERB
ajset-646	312	6	that	that	SCONJ
ajset-646	312	7	the	the	DET
ajset-646	312	8	type	type	NOUN
ajset-646	312	9	-	-	PUNCT
ajset-646	312	10	ii	ii	NOUN
ajset-646	312	11	h2	h2	NOUN
ajset-646	312	12	bond	bond	NOUN
ajset-646	312	13	cleaved	cleave	VERB
ajset-646	312	14	intermediate	intermediate	ADJ
ajset-646	312	15	(	(	PUNCT
ajset-646	312	16	1a	1a	X
ajset-646	312	17	)	)	PUNCT
ajset-646	312	18	is	be	AUX
ajset-646	312	19	0.151	0.151	NUM
ajset-646	312	20	ev	ev	NOUN
ajset-646	312	21	(	(	PUNCT
ajset-646	312	22	3.48	3.48	NUM
ajset-646	312	23	kcal	kcal	NOUN
ajset-646	312	24	/	/	SYM
ajset-646	312	25	mol	mol	NOUN
ajset-646	312	26	)	)	PUNCT
ajset-646	312	27	higher	high	ADJ
ajset-646	312	28	in	in	ADP
ajset-646	312	29	energy	energy	NOUN
ajset-646	312	30	than	than	ADP
ajset-646	312	31	the	the	DET
ajset-646	312	32	h2	h2	NOUN
ajset-646	312	33	adduct	adduct	NOUN
ajset-646	312	34	.	.	PUNCT
ajset-646	313	1	the	the	DET
ajset-646	313	2	first	first	ADJ
ajset-646	313	3	electrochemical	electrochemical	ADJ
ajset-646	313	4	reaction	reaction	NOUN
ajset-646	313	5	follows	follow	VERB
ajset-646	313	6	,	,	PUNCT
ajset-646	313	7	between	between	ADP
ajset-646	313	8	intermediates	intermediate	NOUN
ajset-646	313	9	1	1	NUM
ajset-646	313	10	→	→	SYM
ajset-646	313	11	4	4	NUM
ajset-646	313	12	.	.	PUNCT
ajset-646	314	1	in	in	ADP
ajset-646	314	2	this	this	DET
ajset-646	314	3	model	model	NOUN
ajset-646	314	4	,	,	PUNCT
ajset-646	314	5	special	special	ADJ
ajset-646	314	6	attention	attention	NOUN
ajset-646	314	7	is	be	AUX
ajset-646	314	8	paid	pay	VERB
ajset-646	314	9	to	to	PART
ajset-646	314	10	intermediates	intermediate	VERB
ajset-646	314	11	1a	1a	NOUN
ajset-646	314	12	and	and	CCONJ
ajset-646	314	13	3a	3a	NUM
ajset-646	314	14	because	because	SCONJ
ajset-646	314	15	these	these	PRON
ajset-646	314	16	have	have	AUX
ajset-646	314	17	both	both	PRON
ajset-646	314	18	been	be	AUX
ajset-646	314	19	observed	observe	VERB
ajset-646	314	20	with	with	ADP
ajset-646	314	21	nmr	nmr	NOUN
ajset-646	314	22	spectroscopy	spectroscopy	NOUN
ajset-646	314	23	using	use	VERB
ajset-646	314	24	the	the	DET
ajset-646	314	25	characterized	characterized	ADJ
ajset-646	314	26	compounds.21	compounds.21	NOUN
ajset-646	314	27	following	follow	VERB
ajset-646	314	28	the	the	DET
ajset-646	314	29	route	route	NOUN
ajset-646	314	30	of	of	ADP
ajset-646	314	31	the	the	DET
ajset-646	314	32	nmr	nmr	NOUN
ajset-646	314	33	observed	observe	VERB
ajset-646	314	34	intermediates	intermediate	NOUN
ajset-646	314	35	,	,	PUNCT
ajset-646	314	36	path	path	NOUN
ajset-646	314	37	1	1	NUM
ajset-646	314	38	(	(	PUNCT
ajset-646	314	39	blue	blue	ADJ
ajset-646	314	40	)	)	PUNCT
ajset-646	314	41	traverses	traverse	NOUN
ajset-646	314	42	intermediates	intermediate	NOUN
ajset-646	314	43	0	0	NUM
ajset-646	314	44	1a	1a	PROPN
ajset-646	314	45	2a	2a	NUM
ajset-646	314	46	3a	3a	NUM
ajset-646	314	47	4	4	NUM
ajset-646	314	48	5	5	NUM
ajset-646	314	49	6a	6a	NOUN
ajset-646	314	50	0	0	NUM
ajset-646	314	51	.	.	PUNCT
ajset-646	315	1	however	however	ADV
ajset-646	315	2	,	,	PUNCT
ajset-646	315	3	intermediate	intermediate	ADJ
ajset-646	315	4	(	(	PUNCT
ajset-646	315	5	2a	2a	NUM
ajset-646	315	6	)	)	PUNCT
ajset-646	315	7	is	be	AUX
ajset-646	315	8	0.753	0.753	NUM
ajset-646	315	9	ev	ev	PROPN
ajset-646	315	10	(	(	PUNCT
ajset-646	315	11	17.37	17.37	NUM
ajset-646	315	12	kcal	kcal	NOUN
ajset-646	315	13	/	/	SYM
ajset-646	315	14	mol	mol	NOUN
ajset-646	315	15	)	)	PUNCT
ajset-646	315	16	higher	high	ADJ
ajset-646	315	17	in	in	ADP
ajset-646	315	18	energy	energy	NOUN
ajset-646	315	19	than	than	ADP
ajset-646	315	20	intermediates	intermediate	NOUN
ajset-646	315	21	(	(	PUNCT
ajset-646	315	22	1a	1a	NUM
ajset-646	315	23	)	)	PUNCT
ajset-646	315	24	.	.	PUNCT
ajset-646	316	1	the	the	DET
ajset-646	316	2	next	next	ADJ
ajset-646	316	3	step	step	NOUN
ajset-646	316	4	is	be	AUX
ajset-646	316	5	a	a	DET
ajset-646	316	6	non	non	ADJ
ajset-646	316	7	-	-	ADJ
ajset-646	316	8	electrochemical	electrochemical	ADJ
ajset-646	316	9	,	,	PUNCT
ajset-646	316	10	reductive	reductive	ADJ
ajset-646	316	11	elimination	elimination	NOUN
ajset-646	316	12	reaction	reaction	NOUN
ajset-646	316	13	,	,	PUNCT
ajset-646	316	14	consistent	consistent	ADJ
ajset-646	316	15	in	in	ADP
ajset-646	316	16	all	all	DET
ajset-646	316	17	four	four	NUM
ajset-646	316	18	mechanistic	mechanistic	ADJ
ajset-646	316	19	routes	route	NOUN
ajset-646	316	20	between	between	ADP
ajset-646	316	21	intermediate	intermediate	ADJ
ajset-646	316	22	4	4	NUM
ajset-646	316	23	→	→	SYM
ajset-646	316	24	5	5	NUM
ajset-646	316	25	.	.	PUNCT
ajset-646	317	1	the	the	DET
ajset-646	317	2	energy	energy	NOUN
ajset-646	317	3	of	of	ADP
ajset-646	317	4	which	which	PRON
ajset-646	317	5	is	be	AUX
ajset-646	317	6	downhill	downhill	ADV
ajset-646	317	7	by	by	ADP
ajset-646	317	8	0.585	0.585	NUM
ajset-646	317	9	ev	ev	PROPN
ajset-646	317	10	(	(	PUNCT
ajset-646	317	11	13.49	13.49	NUM
ajset-646	317	12	kcal	kcal	NOUN
ajset-646	317	13	/	/	SYM
ajset-646	317	14	mol	mol	NOUN
ajset-646	317	15	)	)	PUNCT
ajset-646	317	16	.	.	PUNCT
ajset-646	318	1	the	the	DET
ajset-646	318	2	second	second	ADJ
ajset-646	318	3	electrochemical	electrochemical	ADJ
ajset-646	318	4	reaction	reaction	NOUN
ajset-646	318	5	occurs	occur	VERB
ajset-646	318	6	between	between	ADP
ajset-646	318	7	intermediate	intermediate	ADJ
ajset-646	318	8	5	5	NUM
ajset-646	318	9	→	→	SYM
ajset-646	318	10	0	0	NUM
ajset-646	318	11	.	.	PUNCT
ajset-646	319	1	panel	panel	NOUN
ajset-646	319	2	(	(	PUNCT
ajset-646	319	3	b	b	NOUN
ajset-646	319	4	)	)	PUNCT
ajset-646	319	5	shows	show	VERB
ajset-646	319	6	that	that	SCONJ
ajset-646	319	7	the	the	DET
ajset-646	319	8	type	type	NOUN
ajset-646	319	9	-	-	PUNCT
ajset-646	319	10	i	i	NOUN
ajset-646	319	11	h2	h2	NOUN
ajset-646	319	12	bond	bond	NOUN
ajset-646	319	13	cleaved	cleave	VERB
ajset-646	319	14	intermediate	intermediate	ADJ
ajset-646	319	15	(	(	PUNCT
ajset-646	319	16	1b	1b	NUM
ajset-646	319	17	)	)	PUNCT
ajset-646	319	18	is	be	AUX
ajset-646	319	19	-0.203	-0.203	PROPN
ajset-646	319	20	ev	ev	X
ajset-646	319	21	(	(	PUNCT
ajset-646	319	22	4.68	4.68	NUM
ajset-646	319	23	kcal	kcal	NOUN
ajset-646	319	24	/	/	SYM
ajset-646	319	25	mol	mol	NOUN
ajset-646	319	26	)	)	PUNCT
ajset-646	319	27	lower	low	ADJ
ajset-646	319	28	in	in	ADP
ajset-646	319	29	energy	energy	NOUN
ajset-646	319	30	than	than	ADP
ajset-646	319	31	the	the	DET
ajset-646	319	32	h2	h2	NOUN
ajset-646	319	33	adduct	adduct	NOUN
ajset-646	319	34	reference	reference	NOUN
ajset-646	319	35	compound	compound	NOUN
ajset-646	319	36	which	which	PRON
ajset-646	319	37	is	be	AUX
ajset-646	319	38	consistent	consistent	ADJ
ajset-646	319	39	with	with	ADP
ajset-646	319	40	this	this	DET
ajset-646	319	41	model	model	NOUN
ajset-646	319	42	as	as	ADP
ajset-646	319	43	an	an	DET
ajset-646	319	44	h2	h2	NOUN
ajset-646	319	45	oxidation	oxidation	NOUN
ajset-646	319	46	catalyst	catalyst	NOUN
ajset-646	319	47	.	.	PUNCT
ajset-646	320	1	in	in	ADP
ajset-646	320	2	the	the	DET
ajset-646	320	3	next	next	ADJ
ajset-646	320	4	electrochemical	electrochemical	ADJ
ajset-646	320	5	reaction	reaction	NOUN
ajset-646	320	6	between	between	ADP
ajset-646	320	7	1	1	NUM
ajset-646	320	8	→	→	SYM
ajset-646	320	9	4	4	NUM
ajset-646	320	10	,	,	PUNCT
ajset-646	320	11	if	if	SCONJ
ajset-646	320	12	pcet	pcet	NOUN
ajset-646	320	13	conditions	condition	NOUN
ajset-646	320	14	prevail	prevail	VERB
ajset-646	320	15	,	,	PUNCT
ajset-646	320	16	then	then	ADV
ajset-646	320	17	intermediate	intermediate	ADJ
ajset-646	320	18	3	3	NUM
ajset-646	320	19	is	be	AUX
ajset-646	320	20	not	not	PART
ajset-646	320	21	observed	observe	VERB
ajset-646	320	22	,	,	PUNCT
ajset-646	320	23	otherwise	otherwise	ADV
ajset-646	320	24	intermediate	intermediate	ADJ
ajset-646	320	25	(	(	PUNCT
ajset-646	320	26	3a	3a	NUM
ajset-646	320	27	)	)	PUNCT
ajset-646	320	28	would	would	AUX
ajset-646	320	29	be	be	AUX
ajset-646	320	30	favored	favor	VERB
ajset-646	320	31	.	.	PUNCT
ajset-646	321	1	a	a	DET
ajset-646	321	2	schematic	schematic	ADJ
ajset-646	321	3	description	description	NOUN
ajset-646	321	4	of	of	ADP
ajset-646	321	5	this	this	PRON
ajset-646	321	6	energetically	energetically	ADV
ajset-646	321	7	favored	favor	VERB
ajset-646	321	8	typei	typei	PROPN
ajset-646	321	9	h2	h2	PROPN
ajset-646	321	10	bond	bond	NOUN
ajset-646	321	11	cleaved	cleaved	ADJ
ajset-646	321	12	path	path	NOUN
ajset-646	321	13	4	4	NUM
ajset-646	321	14	is	be	AUX
ajset-646	321	15	shown	show	VERB
ajset-646	321	16	below	below	ADP
ajset-646	321	17	in	in	ADP
ajset-646	321	18	fig	fig	NOUN
ajset-646	321	19	.	.	PUNCT
ajset-646	322	1	11	11	NUM
ajset-646	322	2	.	.	PUNCT
ajset-646	323	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	323	2	academic	academic	ADJ
ajset-646	323	3	journal	journal	NOUN
ajset-646	323	4	of	of	ADP
ajset-646	323	5	science	science	NOUN
ajset-646	323	6	,	,	PUNCT
ajset-646	323	7	engineering	engineering	NOUN
ajset-646	323	8	and	and	CCONJ
ajset-646	323	9	technology	technology	NOUN
ajset-646	323	10	vol.6	vol.6	PROPN
ajset-646	323	11	,	,	PUNCT
ajset-646	323	12	issue	issue	NOUN
ajset-646	323	13	5	5	NUM
ajset-646	323	14	;	;	PUNCT
ajset-646	323	15	september	september	PROPN
ajset-646	323	16	october	october	PROPN
ajset-646	323	17	2021	2021	NUM
ajset-646	323	18	;	;	PUNCT
ajset-646	323	19	1252	1252	NUM
ajset-646	323	20	columbia	columbia	PROPN
ajset-646	323	21	rd	rd	PROPN
ajset-646	323	22	nw	nw	PROPN
ajset-646	323	23	,	,	PUNCT
ajset-646	323	24	washington	washington	PROPN
ajset-646	323	25	dc	dc	PROPN
ajset-646	323	26	,	,	PUNCT
ajset-646	323	27	united	united	PROPN
ajset-646	323	28	states	states	PROPN
ajset-646	323	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	323	30	;	;	PUNCT
ajset-646	323	31	mail	mail	NOUN
ajset-646	323	32	:	:	PUNCT
ajset-646	323	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	324	1	16	16	NUM
ajset-646	325	1	|	|	ADV
ajset-646	325	2	a	a	DET
ajset-646	325	3	c	c	NOUN
ajset-646	325	4	a	a	PRON
ajset-646	325	5	d	d	X
ajset-646	325	6	e	e	NOUN
ajset-646	325	7	m	m	NOUN
ajset-646	325	8	i	i	NOUN
ajset-646	325	9	c	c	NOUN
ajset-646	325	10	j	j	NOUN
ajset-646	325	11	o	o	X
ajset-646	325	12	u	u	NOUN
ajset-646	325	13	r	r	NOUN
ajset-646	325	14	n	n	NOUN
ajset-646	325	15	a	a	DET
ajset-646	325	16	l	l	NOUN
ajset-646	326	1	o	o	X
ajset-646	326	2	f	f	X
ajset-646	326	3	s	s	X
ajset-646	326	4	c	c	NOUN
ajset-646	327	1	i	i	NOUN
ajset-646	327	2	e	e	PROPN
ajset-646	327	3	n	n	PROPN
ajset-646	327	4	c	c	NOUN
ajset-646	327	5	e	e	X
ajset-646	327	6	,	,	PUNCT
ajset-646	327	7	e	e	PROPN
ajset-646	327	8	n	n	PRON
ajset-646	327	9	g	g	NOUN
ajset-646	327	10	i	i	PRON
ajset-646	327	11	n	n	VERB
ajset-646	327	12	e	e	NOUN
ajset-646	327	13	e	e	NOUN
ajset-646	327	14	r	r	VERB
ajset-646	327	15	i	i	PRON
ajset-646	327	16	n	n	CCONJ
ajset-646	327	17	g	g	PROPN
ajset-646	327	18	a	a	DET
ajset-646	327	19	n	n	NOUN
ajset-646	327	20	d	d	NOUN
ajset-646	327	21	t	t	NOUN
ajset-646	327	22	e	e	X
ajset-646	327	23	c	c	NOUN
ajset-646	327	24	h	h	NOUN
ajset-646	327	25	n	n	ADV
ajset-646	327	26	o	o	NOUN
ajset-646	327	27	l	l	NOUN
ajset-646	328	1	o	o	X
ajset-646	328	2	g	g	NOUN
ajset-646	328	3	y	y	PROPN
ajset-646	328	4	|	|	ADV
ajset-646	328	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	328	6	fig	fig	NOUN
ajset-646	328	7	.	.	PUNCT
ajset-646	329	1	11	11	NUM
ajset-646	329	2	.	.	PUNCT
ajset-646	330	1	energetically	energetically	ADV
ajset-646	330	2	favored	favor	VERB
ajset-646	330	3	type	type	NOUN
ajset-646	330	4	-	-	PUNCT
ajset-646	330	5	i	i	PRON
ajset-646	330	6	h2	h2	NOUN
ajset-646	330	7	bond	bond	NOUN
ajset-646	330	8	cleaved	cleaved	ADJ
ajset-646	330	9	path	path	NOUN
ajset-646	330	10	4	4	NUM
ajset-646	330	11	for	for	ADP
ajset-646	330	12	h2	h2	NOUN
ajset-646	330	13	oxidation	oxidation	NOUN
ajset-646	330	14	of	of	ADP
ajset-646	330	15	the	the	DET
ajset-646	330	16	[	[	X
ajset-646	330	17	ni(pcy	ni(pcy	ADJ
ajset-646	330	18	2n	2n	ADJ
ajset-646	330	19	bz	bz	PROPN
ajset-646	330	20	2)2	2)2	PROPN
ajset-646	330	21	]	]	PUNCT
ajset-646	330	22	model	model	NOUN
ajset-646	330	23	catalyst	catalyst	NOUN
ajset-646	330	24	.	.	PUNCT
ajset-646	331	1	the	the	DET
ajset-646	331	2	intermediates	intermediate	NOUN
ajset-646	331	3	along	along	ADP
ajset-646	331	4	this	this	DET
ajset-646	331	5	path	path	NOUN
ajset-646	331	6	are	be	AUX
ajset-646	331	7	0	0	NUM
ajset-646	331	8	1b	1b	NUM
ajset-646	331	9	3b	3b	NUM
ajset-646	331	10	4	4	NUM
ajset-646	331	11	5	5	NUM
ajset-646	331	12	6b	6b	NOUN
ajset-646	331	13	0	0	NUM
ajset-646	331	14	.	.	PUNCT
ajset-646	332	1	c.	c.	PROPN
ajset-646	332	2	electrochemical	electrochemical	PROPN
ajset-646	332	3	perspective	perspective	PROPN
ajset-646	332	4	from	from	ADP
ajset-646	332	5	calculated	calculate	VERB
ajset-646	332	6	pourbaix	pourbaix	PROPN
ajset-646	332	7	diagrams	diagram	NOUN
ajset-646	332	8	one	one	NUM
ajset-646	332	9	criterion	criterion	NOUN
ajset-646	332	10	for	for	ADP
ajset-646	332	11	molecular	molecular	ADJ
ajset-646	332	12	catalyst	catalyst	NOUN
ajset-646	332	13	design	design	NOUN
ajset-646	332	14	is	be	AUX
ajset-646	332	15	energy	energy	NOUN
ajset-646	332	16	matching	matching	NOUN
ajset-646	332	17	in	in	ADP
ajset-646	332	18	the	the	DET
ajset-646	332	19	nonelectrochemical	nonelectrochemical	ADJ
ajset-646	332	20	reaction	reaction	NOUN
ajset-646	332	21	steps	step	NOUN
ajset-646	332	22	.	.	PUNCT
ajset-646	333	1	however	however	ADV
ajset-646	333	2	,	,	PUNCT
ajset-646	333	3	an	an	DET
ajset-646	333	4	additional	additional	ADJ
ajset-646	333	5	condition	condition	NOUN
ajset-646	333	6	to	to	PART
ajset-646	333	7	improve	improve	VERB
ajset-646	333	8	the	the	DET
ajset-646	333	9	efficiency	efficiency	NOUN
ajset-646	333	10	of	of	ADP
ajset-646	333	11	the	the	DET
ajset-646	333	12	catalyst	catalyst	NOUN
ajset-646	333	13	is	be	AUX
ajset-646	333	14	to	to	PART
ajset-646	333	15	control	control	VERB
ajset-646	333	16	the	the	DET
ajset-646	333	17	electrochemical	electrochemical	ADJ
ajset-646	333	18	reactions	reaction	NOUN
ajset-646	333	19	so	so	SCONJ
ajset-646	333	20	that	that	SCONJ
ajset-646	333	21	the	the	DET
ajset-646	333	22	energy	energy	NOUN
ajset-646	333	23	cost	cost	NOUN
ajset-646	333	24	of	of	ADP
ajset-646	333	25	sequential	sequential	ADJ
ajset-646	333	26	proton	proton	NOUN
ajset-646	333	27	and	and	CCONJ
ajset-646	333	28	electron	electron	NOUN
ajset-646	333	29	transfer	transfer	NOUN
ajset-646	333	30	is	be	AUX
ajset-646	333	31	circumvented	circumvent	VERB
ajset-646	333	32	by	by	ADP
ajset-646	333	33	steering	steer	VERB
ajset-646	333	34	the	the	DET
ajset-646	333	35	reduction	reduction	NOUN
ajset-646	333	36	to	to	PART
ajset-646	333	37	proceed	proceed	VERB
ajset-646	333	38	by	by	ADP
ajset-646	333	39	pcet	pcet	NOUN
ajset-646	333	40	.	.	PUNCT
ajset-646	334	1	the	the	DET
ajset-646	334	2	goal	goal	NOUN
ajset-646	334	3	then	then	ADV
ajset-646	334	4	becomes	become	VERB
ajset-646	334	5	to	to	PART
ajset-646	334	6	align	align	VERB
ajset-646	334	7	all	all	DET
ajset-646	334	8	intermediates	intermediate	NOUN
ajset-646	334	9	involved	involve	VERB
ajset-646	334	10	in	in	ADP
ajset-646	334	11	the	the	DET
ajset-646	334	12	nonelectrochemical	nonelectrochemical	ADJ
ajset-646	334	13	reaction	reaction	NOUN
ajset-646	334	14	steps	step	NOUN
ajset-646	334	15	such	such	ADJ
ajset-646	334	16	that	that	SCONJ
ajset-646	334	17	they	they	PRON
ajset-646	334	18	are	be	AUX
ajset-646	334	19	available	available	ADJ
ajset-646	334	20	at	at	ADP
ajset-646	334	21	similar	similar	ADJ
ajset-646	334	22	ph	ph	ADJ
ajset-646	334	23	ranges	range	NOUN
ajset-646	334	24	.	.	PUNCT
ajset-646	335	1	hence	hence	ADV
ajset-646	335	2	,	,	PUNCT
ajset-646	335	3	for	for	ADP
ajset-646	335	4	the	the	DET
ajset-646	335	5	electrochemical	electrochemical	ADJ
ajset-646	335	6	reactions	reaction	NOUN
ajset-646	335	7	,	,	PUNCT
ajset-646	335	8	an	an	DET
ajset-646	335	9	applied	applied	ADJ
ajset-646	335	10	potential	potential	NOUN
ajset-646	335	11	,	,	PUNCT
ajset-646	335	12	at	at	ADP
ajset-646	335	13	a	a	DET
ajset-646	335	14	ph	ph	NOUN
ajset-646	335	15	,	,	PUNCT
ajset-646	335	16	will	will	AUX
ajset-646	335	17	facilitate	facilitate	VERB
ajset-646	335	18	the	the	DET
ajset-646	335	19	most	most	ADV
ajset-646	335	20	efficient	efficient	ADJ
ajset-646	335	21	mechanistic	mechanistic	ADJ
ajset-646	335	22	route	route	NOUN
ajset-646	335	23	due	due	ADP
ajset-646	335	24	to	to	ADP
ajset-646	335	25	the	the	DET
ajset-646	335	26	availability	availability	NOUN
ajset-646	335	27	of	of	ADP
ajset-646	335	28	the	the	DET
ajset-646	335	29	most	most	ADV
ajset-646	335	30	relevant	relevant	ADJ
ajset-646	335	31	species	specie	NOUN
ajset-646	335	32	.	.	PUNCT
ajset-646	336	1	we	we	PRON
ajset-646	336	2	demonstrate	demonstrate	VERB
ajset-646	336	3	this	this	DET
ajset-646	336	4	idea	idea	NOUN
ajset-646	336	5	using	use	VERB
ajset-646	336	6	the	the	DET
ajset-646	336	7	coupled	couple	VERB
ajset-646	336	8	pourbaix	pourbaix	PROPN
ajset-646	336	9	diagram	diagram	PROPN
ajset-646	336	10	,	,	PUNCT
ajset-646	336	11	a	a	DET
ajset-646	336	12	plot	plot	NOUN
ajset-646	336	13	of	of	ADP
ajset-646	336	14	potential	potential	NOUN
ajset-646	336	15	versus	versus	ADP
ajset-646	336	16	ph	ph	NOUN
ajset-646	336	17	where	where	SCONJ
ajset-646	336	18	the	the	DET
ajset-646	336	19	identity	identity	NOUN
ajset-646	336	20	of	of	ADP
ajset-646	336	21	the	the	DET
ajset-646	336	22	various	various	ADJ
ajset-646	336	23	species	specie	NOUN
ajset-646	336	24	has	have	AUX
ajset-646	336	25	been	be	AUX
ajset-646	336	26	described	describe	VERB
ajset-646	336	27	in	in	ADP
ajset-646	336	28	the	the	DET
ajset-646	336	29	methods	method	NOUN
ajset-646	336	30	section	section	NOUN
ajset-646	336	31	above	above	ADV
ajset-646	336	32	.	.	PUNCT
ajset-646	337	1	a	a	DET
ajset-646	337	2	schematic	schematic	ADJ
ajset-646	337	3	of	of	ADP
ajset-646	337	4	an	an	DET
ajset-646	337	5	expanded	expand	VERB
ajset-646	337	6	pourbaix	pourbaix	NOUN
ajset-646	337	7	diagram	diagram	NOUN
ajset-646	337	8	illustrating	illustrate	VERB
ajset-646	337	9	all	all	DET
ajset-646	337	10	intermediates	intermediate	NOUN
ajset-646	337	11	in	in	ADP
ajset-646	337	12	both	both	DET
ajset-646	337	13	type	type	NOUN
ajset-646	337	14	-	-	PUNCT
ajset-646	337	15	i	i	NOUN
ajset-646	337	16	and	and	CCONJ
ajset-646	337	17	type	type	NOUN
ajset-646	337	18	-	-	PUNCT
ajset-646	337	19	ii	ii	NOUN
ajset-646	337	20	h2	h2	NOUN
ajset-646	337	21	bond	bond	NOUN
ajset-646	337	22	cleaved	cleaved	ADJ
ajset-646	337	23	routes	route	NOUN
ajset-646	337	24	is	be	AUX
ajset-646	337	25	shown	show	VERB
ajset-646	337	26	in	in	ADP
ajset-646	337	27	fig	fig	NOUN
ajset-646	337	28	.	.	PUNCT
ajset-646	338	1	12	12	NUM
ajset-646	338	2	.	.	PUNCT
ajset-646	339	1	the	the	DET
ajset-646	339	2	type	type	NOUN
ajset-646	339	3	-	-	PUNCT
ajset-646	339	4	ii	ii	NOUN
ajset-646	339	5	h2	h2	NOUN
ajset-646	339	6	bond	bond	NOUN
ajset-646	339	7	cleaved	cleaved	ADJ
ajset-646	339	8	route	route	NOUN
ajset-646	339	9	shown	show	VERB
ajset-646	339	10	in	in	ADP
ajset-646	339	11	purple	purple	ADJ
ajset-646	339	12	arrows	arrow	NOUN
ajset-646	339	13	in	in	ADP
ajset-646	339	14	fig	fig	NOUN
ajset-646	339	15	.	.	PUNCT
ajset-646	340	1	12	12	NUM
ajset-646	340	2	is	be	AUX
ajset-646	340	3	expanded	expand	VERB
ajset-646	340	4	schematically	schematically	NOUN
ajset-646	340	5	in	in	ADP
ajset-646	340	6	fig	fig	NOUN
ajset-646	340	7	.	.	PUNCT
ajset-646	341	1	13	13	NUM
ajset-646	341	2	.	.	PUNCT
ajset-646	342	1	the	the	DET
ajset-646	342	2	ideal	ideal	ADJ
ajset-646	342	3	,	,	PUNCT
ajset-646	342	4	most	most	ADV
ajset-646	342	5	efficient	efficient	ADJ
ajset-646	342	6	mechanism	mechanism	NOUN
ajset-646	342	7	would	would	AUX
ajset-646	342	8	involve	involve	VERB
ajset-646	342	9	only	only	ADV
ajset-646	342	10	pcet	pcet	VERB
ajset-646	342	11	reactions	reaction	NOUN
ajset-646	342	12	which	which	PRON
ajset-646	342	13	overlap	overlap	VERB
ajset-646	342	14	in	in	ADP
ajset-646	342	15	the	the	DET
ajset-646	342	16	ph	ph	ADJ
ajset-646	342	17	ranges	range	NOUN
ajset-646	342	18	of	of	ADP
ajset-646	342	19	the	the	DET
ajset-646	342	20	protoncoupled	protoncouple	VERB
ajset-646	342	21	electron	electron	NOUN
ajset-646	342	22	-	-	PUNCT
ajset-646	342	23	transfer	transfer	NOUN
ajset-646	342	24	steps	step	NOUN
ajset-646	342	25	,	,	PUNCT
ajset-646	342	26	pcet12	pcet12	NOUN
ajset-646	342	27	,	,	PUNCT
ajset-646	342	28	pcet34	pcet34	NOUN
ajset-646	342	29	and	and	CCONJ
ajset-646	342	30	pcet56	pcet56	NOUN
ajset-646	342	31	,	,	PUNCT
ajset-646	342	32	and	and	CCONJ
ajset-646	342	33	occur	occur	VERB
ajset-646	342	34	at	at	ADP
ajset-646	342	35	similar	similar	ADJ
ajset-646	342	36	potentials	potential	NOUN
ajset-646	342	37	.	.	PUNCT
ajset-646	343	1	the	the	DET
ajset-646	343	2	schematic	schematic	PROPN
ajset-646	343	3	pourbaix	pourbaix	PROPN
ajset-646	343	4	diagram	diagram	NOUN
ajset-646	343	5	in	in	ADP
ajset-646	343	6	fig	fig	NOUN
ajset-646	343	7	.	.	PUNCT
ajset-646	344	1	12	12	NUM
ajset-646	344	2	is	be	AUX
ajset-646	344	3	broadly	broadly	ADV
ajset-646	344	4	applicable	applicable	ADJ
ajset-646	344	5	to	to	ADP
ajset-646	344	6	both	both	DET
ajset-646	344	7	catalysts	catalyst	NOUN
ajset-646	344	8	models	model	NOUN
ajset-646	344	9	.	.	PUNCT
ajset-646	345	1	having	having	AUX
ajset-646	345	2	mapped	map	VERB
ajset-646	345	3	out	out	ADP
ajset-646	345	4	two	two	NUM
ajset-646	345	5	relevant	relevant	ADJ
ajset-646	345	6	mechanistic	mechanistic	ADJ
ajset-646	345	7	routes	route	NOUN
ajset-646	345	8	,	,	PUNCT
ajset-646	345	9	type	type	NOUN
ajset-646	345	10	-	-	PUNCT
ajset-646	345	11	i	i	NOUN
ajset-646	345	12	and	and	CCONJ
ajset-646	345	13	type	type	NOUN
ajset-646	345	14	-	-	PUNCT
ajset-646	345	15	ii	ii	NOUN
ajset-646	345	16	h2	h2	NOUN
ajset-646	345	17	bond	bond	NOUN
ajset-646	345	18	cleaved	cleave	VERB
ajset-646	345	19	,	,	PUNCT
ajset-646	345	20	of	of	ADP
ajset-646	345	21	these	these	DET
ajset-646	345	22	molecular	molecular	ADJ
ajset-646	345	23	catalyst	catalyst	NOUN
ajset-646	345	24	models	model	NOUN
ajset-646	345	25	,	,	PUNCT
ajset-646	345	26	a	a	DET
ajset-646	345	27	connection	connection	NOUN
ajset-646	345	28	must	must	AUX
ajset-646	345	29	be	be	AUX
ajset-646	345	30	made	make	VERB
ajset-646	345	31	to	to	ADP
ajset-646	345	32	the	the	DET
ajset-646	345	33	operational	operational	ADJ
ajset-646	345	34	ph	ph	NOUN
ajset-646	345	35	and	and	CCONJ
ajset-646	345	36	potential	potential	NOUN
ajset-646	345	37	where	where	SCONJ
ajset-646	345	38	the	the	DET
ajset-646	345	39	intermediates	intermediate	NOUN
ajset-646	345	40	are	be	AUX
ajset-646	345	41	accessible	accessible	ADJ
ajset-646	345	42	.	.	PUNCT
ajset-646	346	1	we	we	PRON
ajset-646	346	2	turn	turn	VERB
ajset-646	346	3	to	to	ADP
ajset-646	346	4	the	the	DET
ajset-646	346	5	calculated	calculate	VERB
ajset-646	346	6	coupled	couple	VERB
ajset-646	346	7	pourbaix	pourbaix	NOUN
ajset-646	346	8	diagrams	diagram	NOUN
ajset-646	346	9	to	to	PART
ajset-646	346	10	make	make	VERB
ajset-646	346	11	this	this	DET
ajset-646	346	12	necessary	necessary	ADJ
ajset-646	346	13	connection	connection	NOUN
ajset-646	346	14	and	and	CCONJ
ajset-646	346	15	attempt	attempt	VERB
ajset-646	346	16	to	to	PART
ajset-646	346	17	draw	draw	VERB
ajset-646	346	18	correlations	correlation	NOUN
ajset-646	346	19	to	to	ADP
ajset-646	346	20	the	the	DET
ajset-646	346	21	operational	operational	ADJ
ajset-646	346	22	regimes	regime	NOUN
ajset-646	346	23	used	use	VERB
ajset-646	346	24	in	in	ADP
ajset-646	346	25	the	the	DET
ajset-646	346	26	experimental	experimental	ADJ
ajset-646	346	27	setup	setup	NOUN
ajset-646	346	28	.	.	PUNCT
ajset-646	347	1	fig	fig	NOUN
ajset-646	347	2	.	.	PUNCT
ajset-646	348	1	14	14	NUM
ajset-646	348	2	is	be	AUX
ajset-646	348	3	the	the	DET
ajset-646	348	4	coupled	couple	VERB
ajset-646	348	5	pourbaix	pourbaix	PROPN
ajset-646	348	6	diagram	diagram	PROPN
ajset-646	348	7	of	of	ADP
ajset-646	348	8	model	model	NOUN
ajset-646	348	9	[	[	X
ajset-646	348	10	ni(pcy2nbz2)2	ni(pcy2nbz2)2	NOUN
ajset-646	348	11	]	]	PUNCT
ajset-646	348	12	.	.	PUNCT
ajset-646	349	1	intermediates	intermediate	NOUN
ajset-646	349	2	involved	involve	VERB
ajset-646	349	3	in	in	ADP
ajset-646	349	4	the	the	DET
ajset-646	349	5	type	type	NOUN
ajset-646	349	6	-	-	PUNCT
ajset-646	349	7	ii	ii	NOUN
ajset-646	349	8	h2	h2	NOUN
ajset-646	349	9	bond	bond	NOUN
ajset-646	349	10	cleaved	cleaved	ADJ
ajset-646	349	11	routes	route	NOUN
ajset-646	349	12	are	be	AUX
ajset-646	349	13	shaded	shade	VERB
ajset-646	349	14	in	in	ADP
ajset-646	349	15	purple	purple	NOUN
ajset-646	349	16	,	,	PUNCT
ajset-646	349	17	and	and	CCONJ
ajset-646	349	18	intermediates	intermediate	NOUN
ajset-646	349	19	involved	involve	VERB
ajset-646	349	20	in	in	ADP
ajset-646	349	21	the	the	DET
ajset-646	349	22	type	type	NOUN
ajset-646	349	23	-	-	PUNCT
ajset-646	349	24	i	i	PRON
ajset-646	349	25	h2	h2	NOUN
ajset-646	349	26	bond	bond	NOUN
ajset-646	349	27	cleaved	cleaved	ADJ
ajset-646	349	28	routes	route	NOUN
ajset-646	349	29	are	be	AUX
ajset-646	349	30	shaded	shade	VERB
ajset-646	349	31	in	in	ADP
ajset-646	349	32	green	green	NOUN
ajset-646	349	33	.	.	PUNCT
ajset-646	350	1	pka	pka	NOUN
ajset-646	350	2	’s	’s	X
ajset-646	350	3	for	for	ADP
ajset-646	350	4	the	the	DET
ajset-646	350	5	h2	h2	NOUN
ajset-646	350	6	adducts	adduct	NOUN
ajset-646	350	7	correspond	correspond	ADV
ajset-646	350	8	to	to	ADP
ajset-646	350	9	the	the	DET
ajset-646	350	10	single	single	ADJ
ajset-646	350	11	deprotonation	deprotonation	NOUN
ajset-646	350	12	of	of	ADP
ajset-646	350	13	the	the	DET
ajset-646	350	14	(	(	PUNCT
ajset-646	350	15	i	i	NOUN
ajset-646	350	16	)	)	PUNCT
ajset-646	350	17	,	,	PUNCT
ajset-646	350	18	(	(	PUNCT
ajset-646	350	19	ii	ii	NOUN
ajset-646	350	20	)	)	PUNCT
ajset-646	350	21	and	and	CCONJ
ajset-646	350	22	(	(	PUNCT
ajset-646	350	23	iii	iii	X
ajset-646	350	24	)	)	PUNCT
ajset-646	350	25	intermediates	intermediate	NOUN
ajset-646	350	26	to	to	ADP
ajset-646	350	27	[	[	X
ajset-646	350	28	niii(h-)-n	niii(h-)-n	PROPN
ajset-646	350	29	]	]	PUNCT
ajset-646	350	30	.	.	PUNCT
ajset-646	351	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	351	2	academic	academic	ADJ
ajset-646	351	3	journal	journal	NOUN
ajset-646	351	4	of	of	ADP
ajset-646	351	5	science	science	NOUN
ajset-646	351	6	,	,	PUNCT
ajset-646	351	7	engineering	engineering	NOUN
ajset-646	351	8	and	and	CCONJ
ajset-646	351	9	technology	technology	NOUN
ajset-646	351	10	vol.6	vol.6	PROPN
ajset-646	351	11	,	,	PUNCT
ajset-646	351	12	issue	issue	NOUN
ajset-646	351	13	5	5	NUM
ajset-646	351	14	;	;	PUNCT
ajset-646	351	15	september	september	PROPN
ajset-646	351	16	october	october	PROPN
ajset-646	351	17	2021	2021	NUM
ajset-646	351	18	;	;	PUNCT
ajset-646	351	19	1252	1252	NUM
ajset-646	351	20	columbia	columbia	PROPN
ajset-646	351	21	rd	rd	PROPN
ajset-646	351	22	nw	nw	PROPN
ajset-646	351	23	,	,	PUNCT
ajset-646	351	24	washington	washington	PROPN
ajset-646	351	25	dc	dc	PROPN
ajset-646	351	26	,	,	PUNCT
ajset-646	351	27	united	united	PROPN
ajset-646	351	28	states	states	PROPN
ajset-646	351	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	351	30	;	;	PUNCT
ajset-646	351	31	mail	mail	NOUN
ajset-646	351	32	:	:	PUNCT
ajset-646	351	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	352	1	17	17	NUM
ajset-646	353	1	|	|	ADV
ajset-646	353	2	a	a	DET
ajset-646	353	3	c	c	NOUN
ajset-646	353	4	a	a	PRON
ajset-646	353	5	d	d	X
ajset-646	353	6	e	e	NOUN
ajset-646	353	7	m	m	NOUN
ajset-646	353	8	i	i	NOUN
ajset-646	353	9	c	c	NOUN
ajset-646	353	10	j	j	NOUN
ajset-646	353	11	o	o	X
ajset-646	353	12	u	u	NOUN
ajset-646	353	13	r	r	NOUN
ajset-646	353	14	n	n	NOUN
ajset-646	353	15	a	a	DET
ajset-646	353	16	l	l	NOUN
ajset-646	354	1	o	o	X
ajset-646	354	2	f	f	X
ajset-646	354	3	s	s	X
ajset-646	354	4	c	c	NOUN
ajset-646	355	1	i	i	NOUN
ajset-646	355	2	e	e	PROPN
ajset-646	355	3	n	n	PROPN
ajset-646	355	4	c	c	NOUN
ajset-646	355	5	e	e	X
ajset-646	355	6	,	,	PUNCT
ajset-646	355	7	e	e	PROPN
ajset-646	355	8	n	n	PRON
ajset-646	355	9	g	g	NOUN
ajset-646	355	10	i	i	PRON
ajset-646	355	11	n	n	VERB
ajset-646	355	12	e	e	NOUN
ajset-646	355	13	e	e	NOUN
ajset-646	355	14	r	r	VERB
ajset-646	355	15	i	i	PRON
ajset-646	355	16	n	n	CCONJ
ajset-646	355	17	g	g	PROPN
ajset-646	355	18	a	a	DET
ajset-646	355	19	n	n	NOUN
ajset-646	355	20	d	d	NOUN
ajset-646	355	21	t	t	NOUN
ajset-646	355	22	e	e	X
ajset-646	355	23	c	c	NOUN
ajset-646	355	24	h	h	NOUN
ajset-646	355	25	n	n	ADV
ajset-646	355	26	o	o	NOUN
ajset-646	355	27	l	l	NOUN
ajset-646	356	1	o	o	X
ajset-646	356	2	g	g	NOUN
ajset-646	356	3	y	y	PROPN
ajset-646	356	4	|	|	ADV
ajset-646	356	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	356	6	fig	fig	NOUN
ajset-646	356	7	.	.	PUNCT
ajset-646	357	1	12	12	NUM
ajset-646	357	2	.	.	PUNCT
ajset-646	358	1	schematic	schematic	ADJ
ajset-646	358	2	of	of	ADP
ajset-646	358	3	an	an	DET
ajset-646	358	4	expanded	expand	VERB
ajset-646	358	5	coupled	couple	VERB
ajset-646	358	6	pourbaix	pourbaix	PROPN
ajset-646	358	7	diagram	diagram	PROPN
ajset-646	358	8	.	.	PUNCT
ajset-646	359	1	red	red	ADJ
ajset-646	359	2	lines	line	NOUN
ajset-646	359	3	signify	signify	VERB
ajset-646	359	4	the	the	DET
ajset-646	359	5	niii	niii	PROPN
ajset-646	359	6	/	/	SYM
ajset-646	359	7	nii	nii	PROPN
ajset-646	359	8	couple	couple	NOUN
ajset-646	359	9	,	,	PUNCT
ajset-646	359	10	blue	blue	ADJ
ajset-646	359	11	lines	line	NOUN
ajset-646	359	12	are	be	AUX
ajset-646	359	13	the	the	DET
ajset-646	359	14	niiii	niiii	PROPN
ajset-646	359	15	/	/	SYM
ajset-646	359	16	ii(h-	ii(h-	NOUN
ajset-646	359	17	)	)	PUNCT
ajset-646	359	18	couple	couple	NOUN
ajset-646	359	19	,	,	PUNCT
ajset-646	359	20	and	and	CCONJ
ajset-646	359	21	purple	purple	ADJ
ajset-646	359	22	lines	line	NOUN
ajset-646	359	23	are	be	AUX
ajset-646	359	24	the	the	DET
ajset-646	359	25	nii/0	nii/0	PROPN
ajset-646	359	26	couple	couple	NOUN
ajset-646	359	27	.	.	PUNCT
ajset-646	360	1	numbered	number	VERB
ajset-646	360	2	intermediates	intermediate	NOUN
ajset-646	360	3	followed	follow	VERB
ajset-646	360	4	by	by	ADP
ajset-646	360	5	purple	purple	ADJ
ajset-646	360	6	arrows	arrow	NOUN
ajset-646	360	7	travel	travel	VERB
ajset-646	360	8	along	along	ADP
ajset-646	360	9	the	the	DET
ajset-646	360	10	type	type	NOUN
ajset-646	360	11	-	-	PUNCT
ajset-646	360	12	ii	ii	NOUN
ajset-646	360	13	h2	h2	NOUN
ajset-646	360	14	bond	bond	NOUN
ajset-646	360	15	cleaved	cleaved	ADJ
ajset-646	360	16	pathway	pathway	NOUN
ajset-646	360	17	.	.	PUNCT
ajset-646	361	1	the	the	DET
ajset-646	361	2	intermediates	intermediate	NOUN
ajset-646	361	3	labeled	label	VERB
ajset-646	361	4	with	with	ADP
ajset-646	361	5	circled	circle	VERB
ajset-646	361	6	numbers	number	NOUN
ajset-646	361	7	follow	follow	VERB
ajset-646	361	8	the	the	DET
ajset-646	361	9	type	type	NOUN
ajset-646	361	10	-	-	PUNCT
ajset-646	361	11	ii	ii	NOUN
ajset-646	361	12	h2	h2	NOUN
ajset-646	361	13	bond	bond	NOUN
ajset-646	361	14	cleaved	cleave	VERB
ajset-646	361	15	pathway	pathway	NOUN
ajset-646	361	16	as	as	ADP
ajset-646	361	17	an	an	DET
ajset-646	361	18	illustration	illustration	NOUN
ajset-646	361	19	that	that	SCONJ
ajset-646	361	20	free	free	ADJ
ajset-646	361	21	-	-	PUNCT
ajset-646	361	22	energy	energy	NOUN
ajset-646	361	23	mechanistic	mechanistic	ADJ
ajset-646	361	24	routes	route	NOUN
ajset-646	361	25	can	can	AUX
ajset-646	361	26	be	be	AUX
ajset-646	361	27	mapped	map	VERB
ajset-646	361	28	onto	onto	ADP
ajset-646	361	29	the	the	DET
ajset-646	361	30	pourbaix	pourbaix	PROPN
ajset-646	361	31	diagram	diagram	NOUN
ajset-646	361	32	at	at	ADP
ajset-646	361	33	a	a	DET
ajset-646	361	34	way	way	NOUN
ajset-646	361	35	to	to	PART
ajset-646	361	36	interpret	interpret	VERB
ajset-646	361	37	findings	finding	NOUN
ajset-646	361	38	from	from	ADP
ajset-646	361	39	electrochemistry	electrochemistry	NOUN
ajset-646	361	40	experiments	experiment	NOUN
ajset-646	361	41	.	.	PUNCT
ajset-646	362	1	fig	fig	NOUN
ajset-646	362	2	.	.	PUNCT
ajset-646	363	1	13	13	NUM
ajset-646	363	2	.	.	PUNCT
ajset-646	363	3	type	type	NOUN
ajset-646	363	4	-	-	PUNCT
ajset-646	363	5	ii	ii	NOUN
ajset-646	363	6	h2	h2	NOUN
ajset-646	363	7	bond	bond	NOUN
ajset-646	363	8	cleaved	cleaved	ADJ
ajset-646	363	9	pathway	pathway	NOUN
ajset-646	363	10	of	of	ADP
ajset-646	363	11	h2	h2	NOUN
ajset-646	363	12	oxidation	oxidation	NOUN
ajset-646	363	13	with	with	ADP
ajset-646	363	14	[	[	X
ajset-646	363	15	ni(pcy	ni(pcy	ADJ
ajset-646	363	16	2n	2n	ADJ
ajset-646	363	17	bz	bz	PROPN
ajset-646	363	18	2)2	2)2	NUM
ajset-646	363	19	]	]	PUNCT
ajset-646	363	20	model	model	NOUN
ajset-646	363	21	.	.	PUNCT
ajset-646	364	1	focusing	focus	VERB
ajset-646	364	2	first	first	ADV
ajset-646	364	3	on	on	ADP
ajset-646	364	4	the	the	DET
ajset-646	364	5	pcet	pcet	NOUN
ajset-646	364	6	overlap	overlap	NOUN
ajset-646	364	7	region	region	NOUN
ajset-646	364	8	highlighted	highlight	VERB
ajset-646	364	9	in	in	ADP
ajset-646	364	10	purple	purple	NOUN
ajset-646	364	11	which	which	PRON
ajset-646	364	12	represents	represent	VERB
ajset-646	364	13	the	the	DET
ajset-646	364	14	type	type	NOUN
ajset-646	364	15	-	-	PUNCT
ajset-646	364	16	ii	ii	NOUN
ajset-646	364	17	h2	h2	NOUN
ajset-646	364	18	bond	bond	NOUN
ajset-646	364	19	cleaved	cleaved	ADJ
ajset-646	364	20	route	route	NOUN
ajset-646	364	21	,	,	PUNCT
ajset-646	364	22	the	the	DET
ajset-646	364	23	results	result	NOUN
ajset-646	364	24	show	show	VERB
ajset-646	364	25	that	that	SCONJ
ajset-646	364	26	this	this	DET
ajset-646	364	27	route	route	NOUN
ajset-646	364	28	operates	operate	VERB
ajset-646	364	29	in	in	ADP
ajset-646	364	30	a	a	DET
ajset-646	364	31	basic	basic	ADJ
ajset-646	364	32	region	region	NOUN
ajset-646	364	33	of	of	ADP
ajset-646	364	34	the	the	DET
ajset-646	364	35	ph	ph	ADJ
ajset-646	364	36	scale	scale	NOUN
ajset-646	364	37	and	and	CCONJ
ajset-646	364	38	with	with	ADP
ajset-646	364	39	relatively	relatively	ADV
ajset-646	364	40	large	large	ADJ
ajset-646	364	41	overpotentials	overpotential	NOUN
ajset-646	364	42	.	.	PUNCT
ajset-646	365	1	interestingly	interestingly	ADV
ajset-646	365	2	,	,	PUNCT
ajset-646	365	3	the	the	DET
ajset-646	365	4	experiment	experiment	NOUN
ajset-646	365	5	is	be	AUX
ajset-646	365	6	performed	perform	VERB
ajset-646	365	7	in	in	ADP
ajset-646	365	8	the	the	DET
ajset-646	365	9	presence	presence	NOUN
ajset-646	365	10	of	of	ADP
ajset-646	365	11	triethylamine	triethylamine	NOUN
ajset-646	365	12	,	,	PUNCT
ajset-646	365	13	a	a	DET
ajset-646	365	14	strong	strong	ADJ
ajset-646	365	15	base	base	NOUN
ajset-646	365	16	buffer	buffer	NOUN
ajset-646	365	17	,	,	PUNCT
ajset-646	365	18	which	which	PRON
ajset-646	365	19	could	could	AUX
ajset-646	365	20	explain	explain	VERB
ajset-646	365	21	why	why	SCONJ
ajset-646	365	22	the	the	DET
ajset-646	365	23	[	[	X
ajset-646	365	24	+	+	ADJ
ajset-646	365	25	hn	hn	PROPN
ajset-646	365	26	-	-	PUNCT
ajset-646	365	27	ni0	ni0	NOUN
ajset-646	365	28	-	-	PUNCT
ajset-646	365	29	nh+	nh+	NOUN
ajset-646	365	30	]	]	PUNCT
ajset-646	365	31	intermediate	intermediate	ADJ
ajset-646	365	32	is	be	AUX
ajset-646	365	33	observed	observe	VERB
ajset-646	365	34	by	by	ADP
ajset-646	365	35	nmr	nmr	NOUN
ajset-646	365	36	spectroscopy	spectroscopy	NOUN
ajset-646	365	37	under	under	ADP
ajset-646	365	38	these	these	DET
ajset-646	365	39	basic	basic	ADJ
ajset-646	365	40	conditions	condition	NOUN
ajset-646	365	41	.	.	PUNCT
ajset-646	366	1	now	now	ADV
ajset-646	366	2	focusing	focus	VERB
ajset-646	366	3	on	on	ADP
ajset-646	366	4	the	the	DET
ajset-646	366	5	pcet	pcet	NOUN
ajset-646	366	6	overlap	overlap	NOUN
ajset-646	366	7	region	region	NOUN
ajset-646	366	8	highlighted	highlight	VERB
ajset-646	366	9	in	in	ADP
ajset-646	366	10	green	green	NOUN
ajset-646	366	11	,	,	PUNCT
ajset-646	366	12	representing	represent	VERB
ajset-646	366	13	the	the	DET
ajset-646	366	14	type	type	NOUN
ajset-646	366	15	-	-	PUNCT
ajset-646	366	16	i	i	NOUN
ajset-646	366	17	h2	h2	NOUN
ajset-646	366	18	bond	bond	NOUN
ajset-646	366	19	cleaved	cleaved	ADJ
ajset-646	366	20	route	route	NOUN
ajset-646	366	21	,	,	PUNCT
ajset-646	366	22	the	the	DET
ajset-646	366	23	result	result	NOUN
ajset-646	366	24	shows	show	VERB
ajset-646	366	25	that	that	SCONJ
ajset-646	366	26	this	this	DET
ajset-646	366	27	route	route	NOUN
ajset-646	366	28	operates	operate	VERB
ajset-646	366	29	in	in	ADP
ajset-646	366	30	an	an	DET
ajset-646	366	31	acidic	acidic	ADJ
ajset-646	366	32	region	region	NOUN
ajset-646	366	33	of	of	ADP
ajset-646	366	34	the	the	DET
ajset-646	366	35	ph	ph	ADJ
ajset-646	366	36	scale	scale	NOUN
ajset-646	366	37	with	with	ADP
ajset-646	366	38	much	much	ADV
ajset-646	366	39	lower	low	ADJ
ajset-646	366	40	overpotentials	overpotential	NOUN
ajset-646	366	41	than	than	ADP
ajset-646	366	42	the	the	DET
ajset-646	366	43	type	type	NOUN
ajset-646	366	44	-	-	PUNCT
ajset-646	366	45	ii	ii	NOUN
ajset-646	366	46	h2	h2	NOUN
ajset-646	366	47	bond	bond	NOUN
ajset-646	366	48	cleaved	cleaved	ADJ
ajset-646	366	49	route	route	NOUN
ajset-646	366	50	.	.	PUNCT
ajset-646	367	1	interestingly	interestingly	ADV
ajset-646	367	2	,	,	PUNCT
ajset-646	367	3	the	the	DET
ajset-646	367	4	h2	h2	NOUN
ajset-646	367	5	adduct	adduct	NOUN
ajset-646	367	6	represented	represent	VERB
ajset-646	367	7	by	by	ADP
ajset-646	367	8	(	(	PUNCT
ajset-646	367	9	ii	ii	NOUN
ajset-646	367	10	)	)	PUNCT
ajset-646	367	11	and	and	CCONJ
ajset-646	367	12	(	(	PUNCT
ajset-646	367	13	iii	iii	NOUN
ajset-646	367	14	)	)	PUNCT
ajset-646	367	15	in	in	ADP
ajset-646	367	16	fig	fig	NOUN
ajset-646	367	17	.	.	PUNCT
ajset-646	368	1	14	14	NUM
ajset-646	368	2	falls	fall	VERB
ajset-646	368	3	within	within	ADP
ajset-646	368	4	this	this	DET
ajset-646	368	5	ph	ph	ADJ
ajset-646	368	6	range	range	NOUN
ajset-646	368	7	which	which	PRON
ajset-646	368	8	is	be	AUX
ajset-646	368	9	consistent	consistent	ADJ
ajset-646	368	10	with	with	ADP
ajset-646	368	11	the	the	DET
ajset-646	368	12	similarity	similarity	NOUN
ajset-646	368	13	in	in	ADP
ajset-646	368	14	energy	energy	NOUN
ajset-646	368	15	to	to	ADP
ajset-646	368	16	the	the	DET
ajset-646	368	17	type	type	NOUN
ajset-646	368	18	-	-	PUNCT
ajset-646	368	19	i	i	PRON
ajset-646	368	20	h2	h2	NOUN
ajset-646	368	21	bond	bond	NOUN
ajset-646	368	22	cleaved	cleave	VERB
ajset-646	368	23	intermediate	intermediate	ADJ
ajset-646	368	24	.	.	PUNCT
ajset-646	369	1	comparing	compare	VERB
ajset-646	369	2	the	the	DET
ajset-646	369	3	operating	operate	VERB
ajset-646	369	4	regimes	regime	NOUN
ajset-646	369	5	of	of	ADP
ajset-646	369	6	both	both	DET
ajset-646	369	7	type	type	NOUN
ajset-646	369	8	-	-	PUNCT
ajset-646	369	9	i	i	NOUN
ajset-646	369	10	and	and	CCONJ
ajset-646	369	11	type	type	NOUN
ajset-646	369	12	-	-	PUNCT
ajset-646	369	13	ii	ii	NOUN
ajset-646	369	14	h2	h2	NOUN
ajset-646	369	15	bond	bond	NOUN
ajset-646	369	16	cleaved	cleaved	ADJ
ajset-646	369	17	routes	route	NOUN
ajset-646	369	18	,	,	PUNCT
ajset-646	369	19	this	this	DET
ajset-646	369	20	pourbaix	pourbaix	PROPN
ajset-646	369	21	diagram	diagram	NOUN
ajset-646	369	22	of	of	ADP
ajset-646	369	23	[	[	X
ajset-646	369	24	ni(pcy	ni(pcy	ADJ
ajset-646	369	25	2n	2n	ADJ
ajset-646	369	26	bz	bz	PROPN
ajset-646	369	27	2)2	2)2	NUM
ajset-646	369	28	]	]	PUNCT
ajset-646	369	29	,	,	PUNCT
ajset-646	369	30	indicates	indicate	VERB
ajset-646	369	31	that	that	SCONJ
ajset-646	369	32	if	if	SCONJ
ajset-646	369	33	the	the	DET
ajset-646	369	34	solution	solution	NOUN
ajset-646	369	35	can	can	AUX
ajset-646	369	36	be	be	AUX
ajset-646	369	37	tuned	tune	VERB
ajset-646	369	38	to	to	ADP
ajset-646	369	39	more	more	ADV
ajset-646	369	40	acidic	acidic	ADJ
ajset-646	369	41	conditions	condition	NOUN
ajset-646	369	42	,	,	PUNCT
ajset-646	369	43	the	the	DET
ajset-646	369	44	intermediates	intermediate	NOUN
ajset-646	369	45	reached	reach	VERB
ajset-646	369	46	will	will	AUX
ajset-646	369	47	traverse	traverse	VERB
ajset-646	369	48	a	a	DET
ajset-646	369	49	lower	low	ADJ
ajset-646	369	50	energy	energy	NOUN
ajset-646	369	51	,	,	PUNCT
ajset-646	369	52	thus	thus	ADV
ajset-646	369	53	a	a	DET
ajset-646	369	54	more	more	ADV
ajset-646	369	55	favorable	favorable	ADJ
ajset-646	369	56	mechanistic	mechanistic	ADJ
ajset-646	369	57	route	route	NOUN
ajset-646	369	58	.	.	PUNCT
ajset-646	370	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	370	2	academic	academic	ADJ
ajset-646	370	3	journal	journal	NOUN
ajset-646	370	4	of	of	ADP
ajset-646	370	5	science	science	NOUN
ajset-646	370	6	,	,	PUNCT
ajset-646	370	7	engineering	engineering	NOUN
ajset-646	370	8	and	and	CCONJ
ajset-646	370	9	technology	technology	NOUN
ajset-646	370	10	vol.6	vol.6	PROPN
ajset-646	370	11	,	,	PUNCT
ajset-646	370	12	issue	issue	NOUN
ajset-646	370	13	5	5	NUM
ajset-646	370	14	;	;	PUNCT
ajset-646	370	15	september	september	PROPN
ajset-646	370	16	october	october	PROPN
ajset-646	370	17	2021	2021	NUM
ajset-646	370	18	;	;	PUNCT
ajset-646	370	19	1252	1252	NUM
ajset-646	370	20	columbia	columbia	PROPN
ajset-646	370	21	rd	rd	PROPN
ajset-646	370	22	nw	nw	PROPN
ajset-646	370	23	,	,	PUNCT
ajset-646	370	24	washington	washington	PROPN
ajset-646	370	25	dc	dc	PROPN
ajset-646	370	26	,	,	PUNCT
ajset-646	370	27	united	united	PROPN
ajset-646	370	28	states	states	PROPN
ajset-646	370	29	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	370	30	;	;	PUNCT
ajset-646	370	31	mail	mail	NOUN
ajset-646	370	32	:	:	PUNCT
ajset-646	370	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	370	34	18	18	NUM
ajset-646	371	1	|	|	ADV
ajset-646	371	2	a	a	DET
ajset-646	371	3	c	c	NOUN
ajset-646	371	4	a	a	PRON
ajset-646	371	5	d	d	X
ajset-646	371	6	e	e	NOUN
ajset-646	371	7	m	m	NOUN
ajset-646	371	8	i	i	NOUN
ajset-646	371	9	c	c	NOUN
ajset-646	371	10	j	j	NOUN
ajset-646	371	11	o	o	X
ajset-646	371	12	u	u	NOUN
ajset-646	371	13	r	r	NOUN
ajset-646	371	14	n	n	NOUN
ajset-646	371	15	a	a	DET
ajset-646	371	16	l	l	NOUN
ajset-646	372	1	o	o	X
ajset-646	372	2	f	f	X
ajset-646	372	3	s	s	X
ajset-646	372	4	c	c	NOUN
ajset-646	373	1	i	i	NOUN
ajset-646	373	2	e	e	PROPN
ajset-646	373	3	n	n	PROPN
ajset-646	373	4	c	c	NOUN
ajset-646	373	5	e	e	X
ajset-646	373	6	,	,	PUNCT
ajset-646	373	7	e	e	PROPN
ajset-646	373	8	n	n	PRON
ajset-646	373	9	g	g	NOUN
ajset-646	373	10	i	i	PRON
ajset-646	373	11	n	n	VERB
ajset-646	373	12	e	e	NOUN
ajset-646	373	13	e	e	NOUN
ajset-646	373	14	r	r	VERB
ajset-646	373	15	i	i	PRON
ajset-646	373	16	n	n	CCONJ
ajset-646	373	17	g	g	PROPN
ajset-646	373	18	a	a	DET
ajset-646	373	19	n	n	NOUN
ajset-646	373	20	d	d	NOUN
ajset-646	373	21	t	t	NOUN
ajset-646	373	22	e	e	X
ajset-646	373	23	c	c	NOUN
ajset-646	373	24	h	h	NOUN
ajset-646	373	25	n	n	ADV
ajset-646	373	26	o	o	NOUN
ajset-646	373	27	l	l	NOUN
ajset-646	374	1	o	o	X
ajset-646	374	2	g	g	NOUN
ajset-646	374	3	y	y	PROPN
ajset-646	374	4	|	|	ADV
ajset-646	374	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	374	6	cy	cy	ADP
ajset-646	374	7	bz	bz	PROPN
ajset-646	374	8	fig	fig	NOUN
ajset-646	374	9	.	.	PUNCT
ajset-646	375	1	14	14	NUM
ajset-646	375	2	.	.	PUNCT
ajset-646	375	3	coupled	couple	VERB
ajset-646	375	4	pourbaix	pourbaix	PROPN
ajset-646	375	5	diagram	diagram	PROPN
ajset-646	375	6	of	of	ADP
ajset-646	375	7	model	model	NOUN
ajset-646	376	1	[	[	X
ajset-646	376	2	ni(p	ni(p	X
ajset-646	376	3	2n	2n	NUM
ajset-646	376	4	2)2	2)2	NUM
ajset-646	376	5	]	]	PUNCT
ajset-646	376	6	.	.	PUNCT
ajset-646	377	1	intermediates	intermediate	NOUN
ajset-646	377	2	involved	involve	VERB
ajset-646	377	3	in	in	ADP
ajset-646	377	4	the	the	DET
ajset-646	377	5	type	type	NOUN
ajset-646	377	6	-	-	PUNCT
ajset-646	377	7	ii	ii	NOUN
ajset-646	377	8	h2	h2	NOUN
ajset-646	377	9	bond	bond	NOUN
ajset-646	377	10	cleaved	cleaved	ADJ
ajset-646	377	11	pathway	pathway	NOUN
ajset-646	377	12	are	be	AUX
ajset-646	377	13	shaded	shade	VERB
ajset-646	377	14	in	in	ADP
ajset-646	377	15	purple	purple	NOUN
ajset-646	377	16	,	,	PUNCT
ajset-646	377	17	and	and	CCONJ
ajset-646	377	18	intermediates	intermediate	NOUN
ajset-646	377	19	involved	involve	VERB
ajset-646	377	20	in	in	ADP
ajset-646	377	21	the	the	DET
ajset-646	377	22	type	type	NOUN
ajset-646	377	23	-	-	PUNCT
ajset-646	377	24	i	i	PRON
ajset-646	377	25	h2	h2	NOUN
ajset-646	377	26	bond	bond	NOUN
ajset-646	377	27	cleaved	cleaved	ADJ
ajset-646	377	28	pathway	pathway	NOUN
ajset-646	377	29	are	be	AUX
ajset-646	377	30	shaded	shade	VERB
ajset-646	377	31	in	in	ADP
ajset-646	377	32	green	green	ADJ
ajset-646	377	33	.	.	PUNCT
ajset-646	378	1	figure	figure	NOUN
ajset-646	378	2	15	15	NUM
ajset-646	378	3	is	be	AUX
ajset-646	378	4	the	the	DET
ajset-646	378	5	coupled	couple	VERB
ajset-646	378	6	pourbaix	pourbaix	PROPN
ajset-646	378	7	diagram	diagram	PROPN
ajset-646	378	8	of	of	ADP
ajset-646	378	9	model	model	NOUN
ajset-646	378	10	[	[	X
ajset-646	378	11	ni(pph	ni(pph	PROPN
ajset-646	378	12	2n	2n	NUM
ajset-646	378	13	ph	ph	PROPN
ajset-646	378	14	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	378	15	)	)	PUNCT
ajset-646	378	16	]	]	PUNCT
ajset-646	378	17	.	.	PUNCT
ajset-646	379	1	focusing	focus	VERB
ajset-646	379	2	on	on	ADP
ajset-646	379	3	the	the	DET
ajset-646	379	4	pcet	pcet	NOUN
ajset-646	379	5	overlap	overlap	NOUN
ajset-646	379	6	region	region	NOUN
ajset-646	379	7	highlighted	highlight	VERB
ajset-646	379	8	in	in	ADP
ajset-646	379	9	purple	purple	NOUN
ajset-646	379	10	in	in	ADP
ajset-646	379	11	fig	fig	NOUN
ajset-646	379	12	.	.	PUNCT
ajset-646	380	1	15	15	NUM
ajset-646	380	2	which	which	PRON
ajset-646	380	3	represents	represent	VERB
ajset-646	380	4	the	the	DET
ajset-646	380	5	type	type	NOUN
ajset-646	380	6	-	-	PUNCT
ajset-646	380	7	ii	ii	NOUN
ajset-646	380	8	h2	h2	NOUN
ajset-646	380	9	bond	bond	NOUN
ajset-646	380	10	cleaved	cleaved	ADJ
ajset-646	380	11	route	route	NOUN
ajset-646	380	12	,	,	PUNCT
ajset-646	380	13	a	a	DET
ajset-646	380	14	largely	largely	ADV
ajset-646	380	15	acidic	acidic	ADJ
ajset-646	380	16	ph	ph	ADJ
ajset-646	380	17	range	range	NOUN
ajset-646	380	18	is	be	AUX
ajset-646	380	19	involved	involve	VERB
ajset-646	380	20	with	with	ADP
ajset-646	380	21	accompanying	accompany	VERB
ajset-646	380	22	large	large	ADJ
ajset-646	380	23	overpotentials	overpotential	NOUN
ajset-646	380	24	.	.	PUNCT
ajset-646	381	1	in	in	ADP
ajset-646	381	2	this	this	DET
ajset-646	381	3	case	case	NOUN
ajset-646	381	4	,	,	PUNCT
ajset-646	381	5	the	the	DET
ajset-646	381	6	experiment	experiment	NOUN
ajset-646	381	7	is	be	AUX
ajset-646	381	8	performed	perform	VERB
ajset-646	381	9	in	in	ADP
ajset-646	381	10	the	the	DET
ajset-646	381	11	presence	presence	NOUN
ajset-646	381	12	of	of	ADP
ajset-646	381	13	triflic	triflic	ADJ
ajset-646	381	14	acid	acid	NOUN
ajset-646	381	15	,	,	PUNCT
ajset-646	381	16	which	which	PRON
ajset-646	381	17	correlates	correlate	VERB
ajset-646	381	18	with	with	ADP
ajset-646	381	19	the	the	DET
ajset-646	381	20	strongly	strongly	ADV
ajset-646	381	21	acidic	acidic	ADJ
ajset-646	381	22	ph	ph	ADJ
ajset-646	381	23	range	range	NOUN
ajset-646	381	24	calculated	calculate	VERB
ajset-646	381	25	.	.	PUNCT
ajset-646	382	1	unlike	unlike	ADP
ajset-646	382	2	the	the	DET
ajset-646	382	3	[	[	X
ajset-646	382	4	ni(pcy	ni(pcy	ADJ
ajset-646	382	5	2n	2n	ADJ
ajset-646	382	6	bz	bz	PROPN
ajset-646	382	7	2)2	2)2	NUM
ajset-646	382	8	]	]	PUNCT
ajset-646	382	9	case	case	NOUN
ajset-646	382	10	,	,	PUNCT
ajset-646	382	11	this	this	DET
ajset-646	382	12	case	case	NOUN
ajset-646	382	13	appears	appear	VERB
ajset-646	382	14	to	to	PART
ajset-646	382	15	be	be	AUX
ajset-646	382	16	more	more	ADV
ajset-646	382	17	difficult	difficult	ADJ
ajset-646	382	18	to	to	PART
ajset-646	382	19	disentangle	disentangle	VERB
ajset-646	382	20	.	.	PUNCT
ajset-646	383	1	from	from	ADP
ajset-646	383	2	the	the	DET
ajset-646	383	3	free	free	ADJ
ajset-646	383	4	-	-	PUNCT
ajset-646	383	5	energy	energy	NOUN
ajset-646	383	6	profiles	profile	NOUN
ajset-646	383	7	,	,	PUNCT
ajset-646	383	8	the	the	DET
ajset-646	383	9	favored	favor	VERB
ajset-646	383	10	mechanism	mechanism	NOUN
ajset-646	383	11	for	for	ADP
ajset-646	383	12	this	this	DET
ajset-646	383	13	case	case	NOUN
ajset-646	383	14	appears	appear	VERB
ajset-646	383	15	to	to	PART
ajset-646	383	16	be	be	AUX
ajset-646	383	17	along	along	ADP
ajset-646	383	18	the	the	DET
ajset-646	383	19	type	type	NOUN
ajset-646	383	20	-	-	PUNCT
ajset-646	383	21	i	i	NOUN
ajset-646	383	22	h2	h2	NOUN
ajset-646	383	23	bond	bond	NOUN
ajset-646	383	24	cleaved	cleaved	ADJ
ajset-646	383	25	pathway	pathway	NOUN
ajset-646	383	26	because	because	SCONJ
ajset-646	383	27	of	of	ADP
ajset-646	383	28	the	the	DET
ajset-646	383	29	0.354	0.354	NUM
ajset-646	383	30	ev	ev	ADP
ajset-646	383	31	lower	low	ADJ
ajset-646	383	32	energy	energy	NOUN
ajset-646	383	33	of	of	ADP
ajset-646	383	34	the	the	DET
ajset-646	383	35	type	type	NOUN
ajset-646	383	36	-	-	PUNCT
ajset-646	383	37	i	i	PRON
ajset-646	383	38	h2	h2	NOUN
ajset-646	383	39	bond	bond	NOUN
ajset-646	383	40	cleaved	cleave	VERB
ajset-646	383	41	intermediate	intermediate	ADJ
ajset-646	383	42	.	.	PUNCT
ajset-646	384	1	however	however	ADV
ajset-646	384	2	,	,	PUNCT
ajset-646	384	3	the	the	DET
ajset-646	384	4	type	type	NOUN
ajset-646	384	5	-	-	PUNCT
ajset-646	384	6	i	i	NOUN
ajset-646	384	7	h2	h2	NOUN
ajset-646	384	8	bond	bond	NOUN
ajset-646	384	9	cleaved	cleaved	ADJ
ajset-646	384	10	route	route	NOUN
ajset-646	384	11	falls	fall	VERB
ajset-646	384	12	in	in	ADP
ajset-646	384	13	a	a	DET
ajset-646	384	14	narrow	narrow	ADJ
ajset-646	384	15	,	,	PUNCT
ajset-646	384	16	even	even	ADV
ajset-646	384	17	more	more	ADV
ajset-646	384	18	acidic	acidic	ADJ
ajset-646	384	19	region	region	NOUN
ajset-646	384	20	of	of	ADP
ajset-646	384	21	the	the	DET
ajset-646	384	22	pourbaix	pourbaix	PROPN
ajset-646	384	23	diagram	diagram	NOUN
ajset-646	384	24	but	but	CCONJ
ajset-646	384	25	equally	equally	ADV
ajset-646	384	26	close	close	ADJ
ajset-646	384	27	to	to	ADP
ajset-646	384	28	the	the	DET
ajset-646	384	29	acidic	acidic	ADJ
ajset-646	384	30	region	region	NOUN
ajset-646	384	31	of	of	ADP
ajset-646	384	32	the	the	DET
ajset-646	384	33	type	type	NOUN
ajset-646	384	34	-	-	PUNCT
ajset-646	384	35	ii	ii	NOUN
ajset-646	384	36	h2	h2	NOUN
ajset-646	384	37	bond	bond	NOUN
ajset-646	384	38	cleaved	cleaved	ADJ
ajset-646	384	39	route	route	NOUN
ajset-646	384	40	,	,	PUNCT
ajset-646	384	41	although	although	SCONJ
ajset-646	384	42	with	with	SCONJ
ajset-646	384	43	much	much	ADV
ajset-646	384	44	lower	low	ADJ
ajset-646	384	45	overpotential	overpotential	ADJ
ajset-646	384	46	.	.	PUNCT
ajset-646	385	1	it	it	PRON
ajset-646	385	2	may	may	AUX
ajset-646	385	3	be	be	AUX
ajset-646	385	4	that	that	SCONJ
ajset-646	385	5	under	under	ADP
ajset-646	385	6	the	the	DET
ajset-646	385	7	acidic	acidic	ADJ
ajset-646	385	8	conditions	condition	NOUN
ajset-646	385	9	required	require	VERB
ajset-646	385	10	by	by	ADP
ajset-646	385	11	both	both	DET
ajset-646	385	12	routes	route	NOUN
ajset-646	385	13	,	,	PUNCT
ajset-646	385	14	pcet	pcet	NUM
ajset-646	385	15	reactions	reaction	NOUN
ajset-646	385	16	dominate	dominate	VERB
ajset-646	385	17	and	and	CCONJ
ajset-646	385	18	optimal	optimal	ADJ
ajset-646	385	19	conditions	condition	NOUN
ajset-646	385	20	for	for	ADP
ajset-646	385	21	the	the	DET
ajset-646	385	22	reactions	reaction	NOUN
ajset-646	385	23	prevail	prevail	VERB
ajset-646	385	24	.	.	PUNCT
ajset-646	386	1	fig	fig	NOUN
ajset-646	386	2	.	.	PUNCT
ajset-646	387	1	15	15	NUM
ajset-646	387	2	:	:	PUNCT
ajset-646	387	3	coupled	couple	VERB
ajset-646	387	4	pourbaix	pourbaix	PROPN
ajset-646	387	5	diagram	diagram	PROPN
ajset-646	387	6	of	of	ADP
ajset-646	387	7	model	model	NOUN
ajset-646	388	1	[	[	X
ajset-646	388	2	ni(pph	ni(pph	PROPN
ajset-646	388	3	2n	2n	NUM
ajset-646	388	4	ph	ph	PROPN
ajset-646	388	5	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	388	6	)	)	PUNCT
ajset-646	388	7	]	]	PUNCT
ajset-646	388	8	.	.	PUNCT
ajset-646	389	1	comparing	compare	VERB
ajset-646	389	2	the	the	DET
ajset-646	389	3	pourbaix	pourbaix	NOUN
ajset-646	389	4	diagrams	diagram	NOUN
ajset-646	389	5	of	of	ADP
ajset-646	389	6	this	this	PRON
ajset-646	389	7	[	[	X
ajset-646	389	8	ni(pph	ni(pph	PROPN
ajset-646	389	9	2n	2n	NUM
ajset-646	389	10	ph	ph	PROPN
ajset-646	389	11	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	389	12	)	)	PUNCT
ajset-646	389	13	]	]	PUNCT
ajset-646	389	14	model	model	NOUN
ajset-646	389	15	and	and	CCONJ
ajset-646	389	16	the	the	DET
ajset-646	389	17	previous	previous	ADJ
ajset-646	389	18	[	[	PUNCT
ajset-646	389	19	ni(pcy	ni(pcy	ADJ
ajset-646	389	20	2n	2n	ADJ
ajset-646	389	21	bz	bz	PROPN
ajset-646	389	22	2)2	2)2	PROPN
ajset-646	389	23	]	]	PUNCT
ajset-646	389	24	model	model	NOUN
ajset-646	389	25	,	,	PUNCT
ajset-646	389	26	lower	low	ADJ
ajset-646	389	27	potentials	potential	NOUN
ajset-646	389	28	are	be	AUX
ajset-646	389	29	needed	need	VERB
ajset-646	389	30	to	to	PART
ajset-646	389	31	drive	drive	VERB
ajset-646	389	32	the	the	DET
ajset-646	389	33	reaction	reaction	NOUN
ajset-646	389	34	in	in	ADP
ajset-646	389	35	this	this	DET
ajset-646	389	36	case	case	NOUN
ajset-646	389	37	and	and	CCONJ
ajset-646	389	38	may	may	AUX
ajset-646	389	39	be	be	AUX
ajset-646	389	40	one	one	NUM
ajset-646	389	41	contributing	contribute	VERB
ajset-646	389	42	factor	factor	NOUN
ajset-646	389	43	to	to	ADP
ajset-646	389	44	the	the	DET
ajset-646	389	45	higher	high	ADJ
ajset-646	389	46	turnover	turnover	NOUN
ajset-646	389	47	frequency	frequency	NOUN
ajset-646	389	48	(	(	PUNCT
ajset-646	389	49	tof	tof	PROPN
ajset-646	389	50	)	)	PUNCT
ajset-646	389	51	of	of	ADP
ajset-646	389	52	350	350	NUM
ajset-646	389	53	s-1	s-1	NOUN
ajset-646	389	54	of	of	ADP
ajset-646	389	55	this	this	DET
ajset-646	389	56	catalyst	catalyst	NOUN
ajset-646	389	57	as	as	SCONJ
ajset-646	389	58	opposed	oppose	VERB
ajset-646	389	59	to	to	ADP
ajset-646	389	60	the	the	DET
ajset-646	389	61	tof	tof	PROPN
ajset-646	389	62	of	of	ADP
ajset-646	389	63	10	10	NUM
ajset-646	389	64	s-1	s-1	NOUN
ajset-646	389	65	of	of	ADP
ajset-646	389	66	the	the	DET
ajset-646	389	67	previous	previous	ADJ
ajset-646	389	68	one	one	NUM
ajset-646	389	69	.	.	PUNCT
ajset-646	390	1	the	the	DET
ajset-646	390	2	other	other	ADJ
ajset-646	390	3	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	390	4	academic	academic	ADJ
ajset-646	390	5	journal	journal	NOUN
ajset-646	390	6	of	of	ADP
ajset-646	390	7	science	science	NOUN
ajset-646	390	8	,	,	PUNCT
ajset-646	390	9	engineering	engineering	NOUN
ajset-646	390	10	and	and	CCONJ
ajset-646	390	11	technology	technology	NOUN
ajset-646	390	12	vol.6	vol.6	PROPN
ajset-646	390	13	,	,	PUNCT
ajset-646	390	14	issue	issue	NOUN
ajset-646	390	15	5	5	NUM
ajset-646	390	16	;	;	PUNCT
ajset-646	390	17	september	september	PROPN
ajset-646	390	18	october	october	PROPN
ajset-646	390	19	2021	2021	NUM
ajset-646	390	20	;	;	PUNCT
ajset-646	390	21	1252	1252	NUM
ajset-646	390	22	columbia	columbia	PROPN
ajset-646	390	23	rd	rd	PROPN
ajset-646	390	24	nw	nw	PROPN
ajset-646	390	25	,	,	PUNCT
ajset-646	390	26	washington	washington	PROPN
ajset-646	390	27	dc	dc	PROPN
ajset-646	390	28	,	,	PUNCT
ajset-646	390	29	united	united	PROPN
ajset-646	390	30	states	states	PROPN
ajset-646	390	31	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	390	32	;	;	PUNCT
ajset-646	390	33	mail	mail	NOUN
ajset-646	390	34	:	:	PUNCT
ajset-646	390	35	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	391	1	19	19	NUM
ajset-646	392	1	|	|	ADV
ajset-646	392	2	a	a	DET
ajset-646	392	3	c	c	NOUN
ajset-646	392	4	a	a	PRON
ajset-646	392	5	d	d	X
ajset-646	392	6	e	e	NOUN
ajset-646	392	7	m	m	NOUN
ajset-646	392	8	i	i	NOUN
ajset-646	392	9	c	c	NOUN
ajset-646	392	10	j	j	NOUN
ajset-646	392	11	o	o	X
ajset-646	392	12	u	u	NOUN
ajset-646	392	13	r	r	NOUN
ajset-646	392	14	n	n	NOUN
ajset-646	392	15	a	a	DET
ajset-646	392	16	l	l	NOUN
ajset-646	393	1	o	o	X
ajset-646	393	2	f	f	X
ajset-646	393	3	s	s	X
ajset-646	393	4	c	c	NOUN
ajset-646	394	1	i	i	NOUN
ajset-646	394	2	e	e	PROPN
ajset-646	394	3	n	n	PROPN
ajset-646	394	4	c	c	NOUN
ajset-646	394	5	e	e	X
ajset-646	394	6	,	,	PUNCT
ajset-646	394	7	e	e	PROPN
ajset-646	394	8	n	n	PRON
ajset-646	394	9	g	g	NOUN
ajset-646	394	10	i	i	PRON
ajset-646	394	11	n	n	VERB
ajset-646	394	12	e	e	NOUN
ajset-646	394	13	e	e	NOUN
ajset-646	394	14	r	r	VERB
ajset-646	394	15	i	i	PRON
ajset-646	394	16	n	n	CCONJ
ajset-646	394	17	g	g	PROPN
ajset-646	394	18	a	a	DET
ajset-646	394	19	n	n	NOUN
ajset-646	394	20	d	d	NOUN
ajset-646	394	21	t	t	NOUN
ajset-646	394	22	e	e	X
ajset-646	394	23	c	c	NOUN
ajset-646	394	24	h	h	NOUN
ajset-646	394	25	n	n	ADV
ajset-646	394	26	o	o	NOUN
ajset-646	394	27	l	l	NOUN
ajset-646	395	1	o	o	X
ajset-646	395	2	g	g	NOUN
ajset-646	395	3	y	y	PROPN
ajset-646	395	4	|	|	ADV
ajset-646	395	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	395	6	contributing	contribute	VERB
ajset-646	395	7	factor	factor	NOUN
ajset-646	395	8	being	be	AUX
ajset-646	395	9	the	the	DET
ajset-646	395	10	lower	low	ADJ
ajset-646	395	11	change	change	NOUN
ajset-646	395	12	in	in	ADP
ajset-646	395	13	free	free	ADJ
ajset-646	395	14	-	-	PUNCT
ajset-646	395	15	energy	energy	NOUN
ajset-646	395	16	of	of	ADP
ajset-646	395	17	the	the	DET
ajset-646	395	18	oxidative	oxidative	ADJ
ajset-646	395	19	addition	addition	NOUN
ajset-646	395	20	reaction	reaction	NOUN
ajset-646	395	21	involving	involve	VERB
ajset-646	395	22	intermediates	intermediate	NOUN
ajset-646	395	23	5→	5→	NUM
ajset-646	395	24	4	4	NUM
ajset-646	395	25	.	.	NOUN
ajset-646	395	26	5	5	NUM
ajset-646	395	27	.	.	X
ajset-646	395	28	discussion	discussion	NOUN
ajset-646	395	29	in	in	ADP
ajset-646	395	30	our	our	PRON
ajset-646	395	31	previous	previous	ADJ
ajset-646	395	32	paper42	paper42	NOUN
ajset-646	395	33	,	,	PUNCT
ajset-646	395	34	explicit	explicit	ADJ
ajset-646	395	35	emphasis	emphasis	NOUN
ajset-646	395	36	was	be	AUX
ajset-646	395	37	placed	place	VERB
ajset-646	395	38	on	on	ADP
ajset-646	395	39	matching	match	VERB
ajset-646	395	40	the	the	DET
ajset-646	395	41	pka	pka	PROPN
ajset-646	395	42	’s	’s	NOUN
ajset-646	395	43	of	of	ADP
ajset-646	395	44	intermediates	intermediate	NOUN
ajset-646	395	45	4	4	NUM
ajset-646	395	46	&	&	CCONJ
ajset-646	395	47	5	5	NUM
ajset-646	395	48	(	(	PUNCT
ajset-646	395	49	the	the	DET
ajset-646	395	50	oxidative	oxidative	ADJ
ajset-646	395	51	addition	addition	NOUN
ajset-646	395	52	step	step	NOUN
ajset-646	395	53	)	)	PUNCT
ajset-646	395	54	such	such	ADJ
ajset-646	395	55	that	that	SCONJ
ajset-646	395	56	the	the	DET
ajset-646	395	57	free	free	ADJ
ajset-646	395	58	energy	energy	NOUN
ajset-646	395	59	of	of	ADP
ajset-646	395	60	this	this	DET
ajset-646	395	61	step	step	NOUN
ajset-646	395	62	is	be	AUX
ajset-646	395	63	thermoneutral	thermoneutral	ADJ
ajset-646	395	64	in	in	ADP
ajset-646	395	65	an	an	DET
ajset-646	395	66	ideal	ideal	ADJ
ajset-646	395	67	catalyst	catalyst	NOUN
ajset-646	395	68	.	.	PUNCT
ajset-646	396	1	our	our	PRON
ajset-646	396	2	exploration	exploration	NOUN
ajset-646	396	3	of	of	ADP
ajset-646	396	4	these	these	DET
ajset-646	396	5	actual	actual	ADJ
ajset-646	396	6	catalysts	catalyst	NOUN
ajset-646	396	7	shows	show	VERB
ajset-646	396	8	that	that	SCONJ
ajset-646	396	9	there	there	PRON
ajset-646	396	10	are	be	VERB
ajset-646	396	11	pka	pka	NOUN
ajset-646	396	12	regions	region	NOUN
ajset-646	396	13	of	of	ADP
ajset-646	396	14	overlap	overlap	NOUN
ajset-646	396	15	for	for	ADP
ajset-646	396	16	each	each	DET
ajset-646	396	17	catalyst	catalyst	NOUN
ajset-646	396	18	,	,	PUNCT
ajset-646	396	19	favoring	favor	VERB
ajset-646	396	20	the	the	DET
ajset-646	396	21	type	type	NOUN
ajset-646	396	22	-	-	PUNCT
ajset-646	396	23	ii	ii	NOUN
ajset-646	396	24	route	route	NOUN
ajset-646	396	25	.	.	PUNCT
ajset-646	397	1	while	while	SCONJ
ajset-646	397	2	the	the	DET
ajset-646	397	3	pka	pka	PROPN
ajset-646	397	4	’s	’s	PART
ajset-646	397	5	overlap	overlap	NOUN
ajset-646	397	6	,	,	PUNCT
ajset-646	397	7	the	the	DET
ajset-646	397	8	reduction	reduction	NOUN
ajset-646	397	9	potentials	potential	NOUN
ajset-646	397	10	do	do	VERB
ajset-646	397	11	not	not	PART
ajset-646	397	12	and	and	CCONJ
ajset-646	397	13	may	may	AUX
ajset-646	397	14	be	be	AUX
ajset-646	397	15	a	a	DET
ajset-646	397	16	source	source	NOUN
ajset-646	397	17	of	of	ADP
ajset-646	397	18	explanation	explanation	NOUN
ajset-646	397	19	for	for	ADP
ajset-646	397	20	why	why	SCONJ
ajset-646	397	21	these	these	DET
ajset-646	397	22	two	two	NUM
ajset-646	397	23	catalysts	catalyst	NOUN
ajset-646	397	24	have	have	AUX
ajset-646	397	25	less	less	ADJ
ajset-646	397	26	than	than	ADP
ajset-646	397	27	ideal	ideal	ADJ
ajset-646	397	28	turnover	turnover	NOUN
ajset-646	397	29	frequencies	frequency	NOUN
ajset-646	397	30	in	in	ADP
ajset-646	397	31	their	their	PRON
ajset-646	397	32	h2	h2	NOUN
ajset-646	397	33	oxidation	oxidation	NOUN
ajset-646	397	34	/	/	SYM
ajset-646	397	35	reduction	reduction	NOUN
ajset-646	397	36	directions	direction	NOUN
ajset-646	397	37	.	.	PUNCT
ajset-646	398	1	the	the	DET
ajset-646	398	2	pka	pka	PROPN
ajset-646	398	3	’s	’s	NOUN
ajset-646	398	4	for	for	ADP
ajset-646	398	5	intermediates	intermediate	NOUN
ajset-646	398	6	4	4	NUM
ajset-646	398	7	and	and	CCONJ
ajset-646	398	8	5	5	NUM
ajset-646	398	9	are	be	AUX
ajset-646	398	10	shown	show	VERB
ajset-646	398	11	in	in	ADP
ajset-646	398	12	figures	figure	NOUN
ajset-646	398	13	14	14	NUM
ajset-646	398	14	and	and	CCONJ
ajset-646	398	15	15	15	NUM
ajset-646	398	16	.	.	PUNCT
ajset-646	399	1	while	while	SCONJ
ajset-646	399	2	the	the	DET
ajset-646	399	3	previous	previous	ADJ
ajset-646	399	4	work	work	NOUN
ajset-646	399	5	also	also	ADV
ajset-646	399	6	postulated	postulate	VERB
ajset-646	399	7	a	a	DET
ajset-646	399	8	second	second	ADJ
ajset-646	399	9	reduction	reduction	NOUN
ajset-646	399	10	to	to	ADP
ajset-646	399	11	the	the	DET
ajset-646	399	12	ni0	ni0	PROPN
ajset-646	399	13	species	specie	NOUN
ajset-646	399	14	before	before	ADP
ajset-646	399	15	the	the	DET
ajset-646	399	16	oxidative	oxidative	ADJ
ajset-646	399	17	addition	addition	NOUN
ajset-646	399	18	step	step	NOUN
ajset-646	399	19	,	,	PUNCT
ajset-646	399	20	this	this	PRON
ajset-646	399	21	was	be	AUX
ajset-646	399	22	not	not	PART
ajset-646	399	23	observed	observe	VERB
ajset-646	399	24	for	for	ADP
ajset-646	399	25	these	these	DET
ajset-646	399	26	real	real	ADJ
ajset-646	399	27	catalyst	catalyst	NOUN
ajset-646	399	28	systems	system	NOUN
ajset-646	399	29	.	.	PUNCT
ajset-646	400	1	in	in	ADP
ajset-646	400	2	fact	fact	NOUN
ajset-646	400	3	,	,	PUNCT
ajset-646	400	4	we	we	PRON
ajset-646	400	5	show	show	VERB
ajset-646	400	6	the	the	DET
ajset-646	400	7	calculated	calculated	ADJ
ajset-646	400	8	pka	pka	PROPN
ajset-646	400	9	of	of	ADP
ajset-646	400	10	the	the	DET
ajset-646	400	11	ni0	ni0	PROPN
ajset-646	400	12	species	specie	NOUN
ajset-646	400	13	in	in	ADP
ajset-646	400	14	figures	figure	NOUN
ajset-646	400	15	14	14	NUM
ajset-646	400	16	and	and	CCONJ
ajset-646	400	17	15	15	NUM
ajset-646	400	18	(	(	PUNCT
ajset-646	400	19	labeled	label	VERB
ajset-646	400	20	in	in	ADP
ajset-646	400	21	purple	purple	NOUN
ajset-646	400	22	as	as	ADP
ajset-646	400	23	the	the	DET
ajset-646	400	24	intermediates	intermediate	NOUN
ajset-646	400	25	around	around	ADP
ajset-646	400	26	pcet56	pcet56	NOUN
ajset-646	400	27	)	)	PUNCT
ajset-646	400	28	.	.	PUNCT
ajset-646	401	1	one	one	NUM
ajset-646	401	2	of	of	ADP
ajset-646	401	3	the	the	DET
ajset-646	401	4	strengths	strength	NOUN
ajset-646	401	5	of	of	ADP
ajset-646	401	6	the	the	DET
ajset-646	401	7	pourbaix	pourbaix	PROPN
ajset-646	401	8	diagram	diagram	PROPN
ajset-646	401	9	is	be	AUX
ajset-646	401	10	the	the	DET
ajset-646	401	11	opportunity	opportunity	NOUN
ajset-646	401	12	to	to	PART
ajset-646	401	13	explore	explore	VERB
ajset-646	401	14	the	the	DET
ajset-646	401	15	mechanism	mechanism	NOUN
ajset-646	401	16	in	in	ADP
ajset-646	401	17	terms	term	NOUN
ajset-646	401	18	of	of	ADP
ajset-646	401	19	the	the	DET
ajset-646	401	20	ph	ph	ADJ
ajset-646	401	21	dependence	dependence	NOUN
ajset-646	401	22	of	of	ADP
ajset-646	401	23	various	various	ADJ
ajset-646	401	24	routes	route	NOUN
ajset-646	401	25	.	.	PUNCT
ajset-646	402	1	so	so	ADV
ajset-646	402	2	far	far	ADV
ajset-646	402	3	the	the	DET
ajset-646	402	4	results	result	NOUN
ajset-646	402	5	have	have	AUX
ajset-646	402	6	presented	present	VERB
ajset-646	402	7	the	the	DET
ajset-646	402	8	simple	simple	ADJ
ajset-646	402	9	case	case	NOUN
ajset-646	402	10	,	,	PUNCT
ajset-646	402	11	at	at	ADP
ajset-646	402	12	ph	ph	NOUN
ajset-646	402	13	=	=	SYM
ajset-646	402	14	0	0	NUM
ajset-646	402	15	conditions	condition	NOUN
ajset-646	402	16	,	,	PUNCT
ajset-646	402	17	of	of	ADP
ajset-646	402	18	proton	proton	NOUN
ajset-646	402	19	transfers	transfer	NOUN
ajset-646	402	20	being	be	AUX
ajset-646	402	21	coupled	couple	VERB
ajset-646	402	22	to	to	PART
ajset-646	402	23	electron	electron	VERB
ajset-646	402	24	transfers	transfer	NOUN
ajset-646	402	25	in	in	ADP
ajset-646	402	26	what	what	PRON
ajset-646	402	27	is	be	AUX
ajset-646	402	28	usually	usually	ADV
ajset-646	402	29	defined	define	VERB
ajset-646	402	30	as	as	ADP
ajset-646	402	31	intermolecular	intermolecular	ADJ
ajset-646	402	32	pcet	pcet	NOUN
ajset-646	402	33	.	.	PUNCT
ajset-646	403	1	however	however	ADV
ajset-646	403	2	,	,	PUNCT
ajset-646	403	3	a	a	DET
ajset-646	403	4	second	second	ADJ
ajset-646	403	5	,	,	PUNCT
ajset-646	403	6	more	more	ADV
ajset-646	403	7	complex	complex	ADJ
ajset-646	403	8	process	process	NOUN
ajset-646	403	9	can	can	AUX
ajset-646	403	10	be	be	AUX
ajset-646	403	11	considered	consider	VERB
ajset-646	403	12	involving	involve	VERB
ajset-646	403	13	the	the	DET
ajset-646	403	14	coupling	coupling	NOUN
ajset-646	403	15	of	of	ADP
ajset-646	403	16	oxidative	oxidative	ADJ
ajset-646	403	17	additions	addition	NOUN
ajset-646	403	18	to	to	PART
ajset-646	403	19	electron	electron	VERB
ajset-646	403	20	or	or	CCONJ
ajset-646	403	21	proton	proton	NOUN
ajset-646	403	22	transfers	transfer	NOUN
ajset-646	403	23	in	in	ADP
ajset-646	403	24	a	a	DET
ajset-646	403	25	way	way	NOUN
ajset-646	403	26	that	that	PRON
ajset-646	403	27	is	be	AUX
ajset-646	403	28	traditionally	traditionally	ADV
ajset-646	403	29	defined	define	VERB
ajset-646	403	30	as	as	ADP
ajset-646	403	31	intramolecular	intramolecular	ADJ
ajset-646	403	32	pcet	pcet	NOUN
ajset-646	403	33	.	.	PUNCT
ajset-646	404	1	one	one	NUM
ajset-646	404	2	paper	paper	NOUN
ajset-646	404	3	argues	argue	VERB
ajset-646	404	4	that	that	SCONJ
ajset-646	404	5	b3lyp	b3lyp	PROPN
ajset-646	404	6	is	be	AUX
ajset-646	404	7	not	not	PART
ajset-646	404	8	in	in	ADP
ajset-646	404	9	qualitative	qualitative	ADJ
ajset-646	404	10	agreement	agreement	NOUN
ajset-646	404	11	with	with	ADP
ajset-646	404	12	coupledcluster	coupledcluster	ADJ
ajset-646	404	13	expansion	expansion	NOUN
ajset-646	404	14	calculations	calculation	NOUN
ajset-646	404	15	on	on	ADP
ajset-646	404	16	a	a	DET
ajset-646	404	17	model	model	NOUN
ajset-646	404	18	system	system	NOUN
ajset-646	404	19	of	of	ADP
ajset-646	404	20	the	the	DET
ajset-646	404	21	nickle	nickle	NOUN
ajset-646	404	22	-	-	PUNCT
ajset-646	404	23	diphosphine	diphosphine	ADJ
ajset-646	404	24	compound.51	compound.51	NOUN
ajset-646	404	25	the	the	DET
ajset-646	404	26	choice	choice	NOUN
ajset-646	404	27	of	of	ADP
ajset-646	404	28	using	use	VERB
ajset-646	404	29	dft	dft	NOUN
ajset-646	404	30	with	with	ADP
ajset-646	404	31	a	a	DET
ajset-646	404	32	b3lyp	b3lyp	X
ajset-646	404	33	functional	functional	ADJ
ajset-646	404	34	for	for	ADP
ajset-646	404	35	these	these	DET
ajset-646	404	36	calculations	calculation	NOUN
ajset-646	404	37	is	be	AUX
ajset-646	404	38	based	base	VERB
ajset-646	404	39	on	on	ADP
ajset-646	404	40	seeking	seek	VERB
ajset-646	404	41	a	a	DET
ajset-646	404	42	qualitative	qualitative	ADJ
ajset-646	404	43	understanding	understanding	NOUN
ajset-646	404	44	of	of	ADP
ajset-646	404	45	how	how	SCONJ
ajset-646	404	46	pourbaix	pourbaix	ADJ
ajset-646	404	47	diagrams	diagram	NOUN
ajset-646	404	48	can	can	AUX
ajset-646	404	49	be	be	AUX
ajset-646	404	50	used	use	VERB
ajset-646	404	51	to	to	PART
ajset-646	404	52	design	design	VERB
ajset-646	404	53	molecular	molecular	ADJ
ajset-646	404	54	catalysts	catalyst	NOUN
ajset-646	404	55	at	at	ADP
ajset-646	404	56	the	the	DET
ajset-646	404	57	low	low	ADJ
ajset-646	404	58	computational	computational	ADJ
ajset-646	404	59	cost	cost	NOUN
ajset-646	404	60	of	of	ADP
ajset-646	404	61	calculating	calculate	VERB
ajset-646	404	62	pka	pka	PROPN
ajset-646	404	63	’s	’s	PART
ajset-646	404	64	and	and	CCONJ
ajset-646	404	65	reduction	reduction	NOUN
ajset-646	404	66	potentials	potential	NOUN
ajset-646	404	67	of	of	ADP
ajset-646	404	68	the	the	DET
ajset-646	404	69	full	full	ADJ
ajset-646	404	70	system	system	NOUN
ajset-646	404	71	,	,	PUNCT
ajset-646	404	72	not	not	PART
ajset-646	404	73	a	a	DET
ajset-646	404	74	truncated	truncated	ADJ
ajset-646	404	75	model	model	NOUN
ajset-646	404	76	.	.	PUNCT
ajset-646	405	1	6	6	NUM
ajset-646	405	2	.	.	X
ajset-646	405	3	conclusion	conclusion	NOUN
ajset-646	405	4	in	in	ADP
ajset-646	405	5	search	search	NOUN
ajset-646	405	6	of	of	ADP
ajset-646	405	7	renewable	renewable	ADJ
ajset-646	405	8	energy	energy	NOUN
ajset-646	405	9	sources	source	NOUN
ajset-646	405	10	as	as	ADP
ajset-646	405	11	a	a	DET
ajset-646	405	12	way	way	NOUN
ajset-646	405	13	of	of	ADP
ajset-646	405	14	preserving	preserve	VERB
ajset-646	405	15	the	the	DET
ajset-646	405	16	environment	environment	NOUN
ajset-646	405	17	,	,	PUNCT
ajset-646	405	18	nature	nature	PROPN
ajset-646	405	19	’s	’s	PART
ajset-646	405	20	energy	energy	NOUN
ajset-646	405	21	producers	producer	NOUN
ajset-646	405	22	have	have	AUX
ajset-646	405	23	become	become	VERB
ajset-646	405	24	an	an	DET
ajset-646	405	25	attractive	attractive	ADJ
ajset-646	405	26	instructor	instructor	NOUN
ajset-646	405	27	.	.	PUNCT
ajset-646	406	1	hydrogenase	hydrogenase	ADJ
ajset-646	406	2	enzymes	enzyme	NOUN
ajset-646	406	3	,	,	PUNCT
ajset-646	406	4	for	for	ADP
ajset-646	406	5	example	example	NOUN
ajset-646	406	6	,	,	PUNCT
ajset-646	406	7	are	be	AUX
ajset-646	406	8	capable	capable	ADJ
ajset-646	406	9	of	of	ADP
ajset-646	406	10	turning	turn	VERB
ajset-646	406	11	over	over	ADP
ajset-646	406	12	hydrogen	hydrogen	NOUN
ajset-646	406	13	at	at	ADP
ajset-646	406	14	high	high	ADJ
ajset-646	406	15	rates	rate	NOUN
ajset-646	406	16	using	use	VERB
ajset-646	406	17	readily	readily	ADV
ajset-646	406	18	available	available	ADJ
ajset-646	406	19	and	and	CCONJ
ajset-646	406	20	cost	cost	VERB
ajset-646	406	21	effective	effective	ADJ
ajset-646	406	22	nickel	nickel	NOUN
ajset-646	406	23	and	and	CCONJ
ajset-646	406	24	iron	iron	NOUN
ajset-646	406	25	metals	metal	NOUN
ajset-646	406	26	.	.	PUNCT
ajset-646	407	1	while	while	SCONJ
ajset-646	407	2	recognizing	recognize	VERB
ajset-646	407	3	the	the	DET
ajset-646	407	4	complexity	complexity	NOUN
ajset-646	407	5	with	with	ADP
ajset-646	407	6	which	which	PRON
ajset-646	407	7	hydrogenases	hydrogenase	NOUN
ajset-646	407	8	function	function	VERB
ajset-646	407	9	,	,	PUNCT
ajset-646	407	10	a	a	DET
ajset-646	407	11	few	few	ADJ
ajset-646	407	12	design	design	NOUN
ajset-646	407	13	features	feature	NOUN
ajset-646	407	14	have	have	AUX
ajset-646	407	15	been	be	AUX
ajset-646	407	16	taken	take	VERB
ajset-646	407	17	as	as	ADP
ajset-646	407	18	a	a	DET
ajset-646	407	19	start	start	NOUN
ajset-646	407	20	towards	towards	ADP
ajset-646	407	21	building	build	VERB
ajset-646	407	22	molecular	molecular	ADJ
ajset-646	407	23	catalysts	catalyst	NOUN
ajset-646	407	24	which	which	PRON
ajset-646	407	25	can	can	AUX
ajset-646	407	26	function	function	VERB
ajset-646	407	27	at	at	ADP
ajset-646	407	28	comparable	comparable	ADJ
ajset-646	407	29	efficiencies	efficiency	NOUN
ajset-646	407	30	.	.	PUNCT
ajset-646	408	1	experimentalists	experimentalist	NOUN
ajset-646	408	2	have	have	AUX
ajset-646	408	3	characterized	characterize	VERB
ajset-646	408	4	such	such	ADJ
ajset-646	408	5	compounds	compound	NOUN
ajset-646	408	6	,	,	PUNCT
ajset-646	408	7	two	two	NUM
ajset-646	408	8	of	of	ADP
ajset-646	408	9	which	which	PRON
ajset-646	408	10	we	we	PRON
ajset-646	408	11	chose	choose	VERB
ajset-646	408	12	to	to	PART
ajset-646	408	13	model	model	VERB
ajset-646	408	14	in	in	ADP
ajset-646	408	15	this	this	DET
ajset-646	408	16	paper	paper	NOUN
ajset-646	408	17	,	,	PUNCT
ajset-646	408	18	one	one	NUM
ajset-646	408	19	for	for	ADP
ajset-646	408	20	h2	h2	NOUN
ajset-646	408	21	oxidation	oxidation	NOUN
ajset-646	408	22	and	and	CCONJ
ajset-646	408	23	the	the	DET
ajset-646	408	24	other	other	ADJ
ajset-646	408	25	for	for	ADP
ajset-646	408	26	h2	h2	NOUN
ajset-646	408	27	production	production	NOUN
ajset-646	408	28	.	.	PUNCT
ajset-646	409	1	using	use	VERB
ajset-646	409	2	these	these	DET
ajset-646	409	3	models	model	NOUN
ajset-646	409	4	,	,	PUNCT
ajset-646	409	5	we	we	PRON
ajset-646	409	6	explored	explore	VERB
ajset-646	409	7	three	three	NUM
ajset-646	409	8	aspects	aspect	NOUN
ajset-646	409	9	of	of	ADP
ajset-646	409	10	catalytic	catalytic	ADJ
ajset-646	409	11	function	function	NOUN
ajset-646	409	12	which	which	PRON
ajset-646	409	13	can	can	AUX
ajset-646	409	14	influence	influence	VERB
ajset-646	409	15	the	the	DET
ajset-646	409	16	choices	choice	NOUN
ajset-646	409	17	made	make	VERB
ajset-646	409	18	in	in	ADP
ajset-646	409	19	designing	design	VERB
ajset-646	409	20	the	the	DET
ajset-646	409	21	catalyst	catalyst	NOUN
ajset-646	409	22	.	.	PUNCT
ajset-646	410	1	the	the	DET
ajset-646	410	2	goal	goal	NOUN
ajset-646	410	3	is	be	AUX
ajset-646	410	4	to	to	PART
ajset-646	410	5	elucidate	elucidate	VERB
ajset-646	410	6	how	how	SCONJ
ajset-646	410	7	to	to	PART
ajset-646	410	8	tune	tune	NOUN
ajset-646	410	9	design	design	NOUN
ajset-646	410	10	features	feature	NOUN
ajset-646	410	11	on	on	ADP
ajset-646	410	12	the	the	DET
ajset-646	410	13	catalyst	catalyst	NOUN
ajset-646	410	14	to	to	PART
ajset-646	410	15	improve	improve	VERB
ajset-646	410	16	efficiency	efficiency	NOUN
ajset-646	410	17	,	,	PUNCT
ajset-646	410	18	and	and	CCONJ
ajset-646	410	19	to	to	PART
ajset-646	410	20	formulate	formulate	VERB
ajset-646	410	21	a	a	DET
ajset-646	410	22	computational	computational	ADJ
ajset-646	410	23	protocol	protocol	NOUN
ajset-646	410	24	which	which	PRON
ajset-646	410	25	predicts	predict	VERB
ajset-646	410	26	how	how	SCONJ
ajset-646	410	27	the	the	DET
ajset-646	410	28	changes	change	NOUN
ajset-646	410	29	ultimately	ultimately	ADV
ajset-646	410	30	affect	affect	VERB
ajset-646	410	31	catalyst	catalyst	NOUN
ajset-646	410	32	behavior	behavior	NOUN
ajset-646	410	33	.	.	PUNCT
ajset-646	411	1	by	by	ADP
ajset-646	411	2	first	first	ADJ
ajset-646	411	3	mapping	map	VERB
ajset-646	411	4	the	the	DET
ajset-646	411	5	free	free	ADJ
ajset-646	411	6	energy	energy	NOUN
ajset-646	411	7	along	along	ADP
ajset-646	411	8	a	a	DET
ajset-646	411	9	proposed	propose	VERB
ajset-646	411	10	reaction	reaction	NOUN
ajset-646	411	11	coordinate	coordinate	NOUN
ajset-646	411	12	,	,	PUNCT
ajset-646	411	13	we	we	PRON
ajset-646	411	14	illustrate	illustrate	VERB
ajset-646	411	15	that	that	SCONJ
ajset-646	411	16	we	we	PRON
ajset-646	411	17	can	can	AUX
ajset-646	411	18	decipher	decipher	VERB
ajset-646	411	19	the	the	DET
ajset-646	411	20	mechanistic	mechanistic	ADJ
ajset-646	411	21	routes	route	NOUN
ajset-646	411	22	of	of	ADP
ajset-646	411	23	the	the	DET
ajset-646	411	24	characterized	characterized	ADJ
ajset-646	411	25	catalyst	catalyst	NOUN
ajset-646	411	26	and	and	CCONJ
ajset-646	411	27	project	project	NOUN
ajset-646	411	28	ways	way	NOUN
ajset-646	411	29	to	to	PART
ajset-646	411	30	improve	improve	VERB
ajset-646	411	31	the	the	DET
ajset-646	411	32	catalyst	catalyst	NOUN
ajset-646	411	33	by	by	ADP
ajset-646	411	34	designing	design	VERB
ajset-646	411	35	it	it	PRON
ajset-646	411	36	to	to	PART
ajset-646	411	37	traverse	traverse	VERB
ajset-646	411	38	more	more	ADV
ajset-646	411	39	favorable	favorable	ADJ
ajset-646	411	40	routes	route	NOUN
ajset-646	411	41	.	.	PUNCT
ajset-646	412	1	we	we	PRON
ajset-646	412	2	then	then	ADV
ajset-646	412	3	target	target	VERB
ajset-646	412	4	the	the	DET
ajset-646	412	5	h2	h2	NOUN
ajset-646	412	6	adduct	adduct	NOUN
ajset-646	412	7	as	as	ADP
ajset-646	412	8	a	a	DET
ajset-646	412	9	critical	critical	ADJ
ajset-646	412	10	intermediate	intermediate	NOUN
ajset-646	412	11	by	by	ADP
ajset-646	412	12	which	which	PRON
ajset-646	412	13	the	the	DET
ajset-646	412	14	pathway	pathway	NOUN
ajset-646	412	15	can	can	AUX
ajset-646	412	16	be	be	AUX
ajset-646	412	17	controlled	control	VERB
ajset-646	412	18	and	and	CCONJ
ajset-646	412	19	suggest	suggest	VERB
ajset-646	412	20	design	design	NOUN
ajset-646	412	21	features	feature	NOUN
ajset-646	412	22	that	that	PRON
ajset-646	412	23	coerce	coerce	VERB
ajset-646	412	24	the	the	DET
ajset-646	412	25	catalyst	catalyst	NOUN
ajset-646	412	26	into	into	ADP
ajset-646	412	27	forming	form	VERB
ajset-646	412	28	certain	certain	ADJ
ajset-646	412	29	low	low	ADJ
ajset-646	412	30	energy	energy	NOUN
ajset-646	412	31	intermediates	intermediate	NOUN
ajset-646	412	32	.	.	PUNCT
ajset-646	413	1	lastly	lastly	ADV
ajset-646	413	2	,	,	PUNCT
ajset-646	413	3	we	we	PRON
ajset-646	413	4	correlate	correlate	VERB
ajset-646	413	5	the	the	DET
ajset-646	413	6	free	free	ADJ
ajset-646	413	7	-	-	PUNCT
ajset-646	413	8	energy	energy	NOUN
ajset-646	413	9	routes	route	NOUN
ajset-646	413	10	with	with	ADP
ajset-646	413	11	electrochemical	electrochemical	ADJ
ajset-646	413	12	mapping	mapping	NOUN
ajset-646	413	13	of	of	ADP
ajset-646	413	14	the	the	DET
ajset-646	413	15	intermediates	intermediate	NOUN
ajset-646	413	16	as	as	ADP
ajset-646	413	17	a	a	DET
ajset-646	413	18	way	way	NOUN
ajset-646	413	19	to	to	PART
ajset-646	413	20	project	project	VERB
ajset-646	413	21	optimal	optimal	ADJ
ajset-646	413	22	electrochemical	electrochemical	ADJ
ajset-646	413	23	conditions	condition	NOUN
ajset-646	413	24	for	for	ADP
ajset-646	413	25	improving	improve	VERB
ajset-646	413	26	catalyst	catalyst	NOUN
ajset-646	413	27	behavior	behavior	NOUN
ajset-646	413	28	.	.	PUNCT
ajset-646	414	1	the	the	DET
ajset-646	414	2	key	key	ADJ
ajset-646	414	3	result	result	NOUN
ajset-646	414	4	from	from	ADP
ajset-646	414	5	analyzing	analyze	VERB
ajset-646	414	6	the	the	DET
ajset-646	414	7	free	free	ADJ
ajset-646	414	8	-	-	PUNCT
ajset-646	414	9	energy	energy	NOUN
ajset-646	414	10	profiles	profile	NOUN
ajset-646	414	11	is	be	AUX
ajset-646	414	12	that	that	SCONJ
ajset-646	414	13	the	the	DET
ajset-646	414	14	heterolytic	heterolytic	ADJ
ajset-646	414	15	route	route	NOUN
ajset-646	414	16	is	be	AUX
ajset-646	414	17	favored	favor	VERB
ajset-646	414	18	for	for	ADP
ajset-646	414	19	both	both	DET
ajset-646	414	20	models	model	NOUN
ajset-646	414	21	,	,	PUNCT
ajset-646	414	22	[	[	X
ajset-646	414	23	ni(pph	ni(pph	PROPN
ajset-646	414	24	2n	2n	NUM
ajset-646	414	25	ph	ph	PROPN
ajset-646	414	26	2)2(ch3cn	2)2(ch3cn	NUM
ajset-646	414	27	)	)	PUNCT
ajset-646	414	28	]	]	PUNCT
ajset-646	414	29	and	and	CCONJ
ajset-646	414	30	[	[	X
ajset-646	414	31	ni(pcy	ni(pcy	ADJ
ajset-646	414	32	2n	2n	ADJ
ajset-646	414	33	bz	bz	PROPN
ajset-646	414	34	2)2	2)2	NUM
ajset-646	414	35	]	]	PUNCT
ajset-646	414	36	.	.	PUNCT
ajset-646	415	1	this	this	PRON
ajset-646	415	2	suggests	suggest	VERB
ajset-646	415	3	that	that	SCONJ
ajset-646	415	4	using	use	VERB
ajset-646	415	5	ligands	ligand	NOUN
ajset-646	415	6	to	to	PART
ajset-646	415	7	make	make	VERB
ajset-646	415	8	one	one	NUM
ajset-646	415	9	of	of	ADP
ajset-646	415	10	the	the	DET
ajset-646	415	11	two	two	NUM
ajset-646	415	12	nitrogens	nitrogen	NOUN
ajset-646	415	13	in	in	ADP
ajset-646	415	14	the	the	DET
ajset-646	415	15	upper	upper	ADJ
ajset-646	415	16	plane	plane	NOUN
ajset-646	415	17	of	of	ADP
ajset-646	415	18	the	the	DET
ajset-646	415	19	catalyst	catalyst	NOUN
ajset-646	415	20	more	more	ADV
ajset-646	415	21	basic	basic	ADJ
ajset-646	415	22	than	than	SCONJ
ajset-646	415	23	the	the	DET
ajset-646	415	24	other	other	ADJ
ajset-646	415	25	can	can	AUX
ajset-646	415	26	bias	bias	VERB
ajset-646	415	27	the	the	DET
ajset-646	415	28	reaction	reaction	NOUN
ajset-646	415	29	to	to	PART
ajset-646	415	30	reach	reach	VERB
ajset-646	415	31	the	the	DET
ajset-646	415	32	heterolytically	heterolytically	ADV
ajset-646	415	33	cleaved	cleave	VERB
ajset-646	415	34	intermediate	intermediate	ADJ
ajset-646	415	35	.	.	PUNCT
ajset-646	416	1	when	when	SCONJ
ajset-646	416	2	both	both	DET
ajset-646	416	3	nitrogens	nitrogen	NOUN
ajset-646	416	4	have	have	VERB
ajset-646	416	5	the	the	DET
ajset-646	416	6	same	same	ADJ
ajset-646	416	7	ligand	ligand	NOUN
ajset-646	416	8	,	,	PUNCT
ajset-646	416	9	homolytic	homolytic	ADJ
ajset-646	416	10	cleavage	cleavage	NOUN
ajset-646	416	11	is	be	AUX
ajset-646	416	12	more	more	ADV
ajset-646	416	13	difficult	difficult	ADJ
ajset-646	416	14	to	to	PART
ajset-646	416	15	avoid	avoid	VERB
ajset-646	416	16	.	.	PUNCT
ajset-646	417	1	the	the	DET
ajset-646	417	2	synthetic	synthetic	ADJ
ajset-646	417	3	challenge	challenge	NOUN
ajset-646	417	4	of	of	ADP
ajset-646	417	5	course	course	NOUN
ajset-646	417	6	becomes	become	VERB
ajset-646	417	7	how	how	SCONJ
ajset-646	417	8	to	to	PART
ajset-646	417	9	construct	construct	VERB
ajset-646	417	10	a	a	DET
ajset-646	417	11	catalyst	catalyst	NOUN
ajset-646	417	12	with	with	ADP
ajset-646	417	13	an	an	DET
ajset-646	417	14	asymmetric	asymmetric	ADJ
ajset-646	417	15	[	[	X
ajset-646	417	16	ni(pphnph	ni(pphnph	NOUN
ajset-646	417	17	)	)	PUNCT
ajset-646	417	18	(	(	PUNCT
ajset-646	417	19	pphnbz	pphnbz	NOUN
ajset-646	417	20	)	)	PUNCT
ajset-646	417	21	]	]	PUNCT
ajset-646	417	22	configuration	configuration	NOUN
ajset-646	417	23	.	.	PUNCT
ajset-646	418	1	however	however	ADV
ajset-646	418	2	,	,	PUNCT
ajset-646	418	3	if	if	SCONJ
ajset-646	418	4	this	this	PRON
ajset-646	418	5	can	can	AUX
ajset-646	418	6	be	be	AUX
ajset-646	418	7	overcome	overcome	VERB
ajset-646	418	8	,	,	PUNCT
ajset-646	418	9	this	this	DET
ajset-646	418	10	new	new	ADJ
ajset-646	418	11	asymmetric	asymmetric	ADJ
ajset-646	418	12	catalyst	catalyst	NOUN
ajset-646	418	13	may	may	AUX
ajset-646	418	14	traverse	traverse	VERB
ajset-646	418	15	the	the	DET
ajset-646	418	16	optimal	optimal	ADJ
ajset-646	418	17	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
ajset-646	418	18	academic	academic	ADJ
ajset-646	418	19	journal	journal	NOUN
ajset-646	418	20	of	of	ADP
ajset-646	418	21	science	science	NOUN
ajset-646	418	22	,	,	PUNCT
ajset-646	418	23	engineering	engineering	NOUN
ajset-646	418	24	and	and	CCONJ
ajset-646	418	25	technology	technology	NOUN
ajset-646	418	26	vol.6	vol.6	PROPN
ajset-646	418	27	,	,	PUNCT
ajset-646	418	28	issue	issue	NOUN
ajset-646	418	29	5	5	NUM
ajset-646	418	30	;	;	PUNCT
ajset-646	418	31	september	september	PROPN
ajset-646	418	32	october	october	PROPN
ajset-646	418	33	2021	2021	NUM
ajset-646	418	34	;	;	PUNCT
ajset-646	418	35	1252	1252	NUM
ajset-646	418	36	columbia	columbia	PROPN
ajset-646	418	37	rd	rd	PROPN
ajset-646	418	38	nw	nw	PROPN
ajset-646	418	39	,	,	PUNCT
ajset-646	418	40	washington	washington	PROPN
ajset-646	418	41	dc	dc	PROPN
ajset-646	418	42	,	,	PUNCT
ajset-646	418	43	united	united	PROPN
ajset-646	418	44	states	states	PROPN
ajset-646	418	45	https://topjournals.org/index.php/tajes/index	https://topjournals.org/index.php/tajes/index	PROPN
ajset-646	418	46	;	;	PUNCT
ajset-646	418	47	mail	mail	NOUN
ajset-646	418	48	:	:	PUNCT
ajset-646	418	49	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	419	1	20	20	NUM
ajset-646	420	1	|	|	ADV
ajset-646	420	2	a	a	DET
ajset-646	420	3	c	c	NOUN
ajset-646	420	4	a	a	PRON
ajset-646	420	5	d	d	X
ajset-646	420	6	e	e	NOUN
ajset-646	420	7	m	m	NOUN
ajset-646	420	8	i	i	NOUN
ajset-646	420	9	c	c	NOUN
ajset-646	420	10	j	j	NOUN
ajset-646	420	11	o	o	X
ajset-646	420	12	u	u	NOUN
ajset-646	420	13	r	r	NOUN
ajset-646	420	14	n	n	NOUN
ajset-646	420	15	a	a	DET
ajset-646	420	16	l	l	NOUN
ajset-646	421	1	o	o	X
ajset-646	421	2	f	f	X
ajset-646	421	3	s	s	X
ajset-646	421	4	c	c	NOUN
ajset-646	422	1	i	i	NOUN
ajset-646	422	2	e	e	PROPN
ajset-646	422	3	n	n	PROPN
ajset-646	422	4	c	c	NOUN
ajset-646	422	5	e	e	X
ajset-646	422	6	,	,	PUNCT
ajset-646	422	7	e	e	PROPN
ajset-646	422	8	n	n	PRON
ajset-646	422	9	g	g	NOUN
ajset-646	422	10	i	i	PRON
ajset-646	422	11	n	n	VERB
ajset-646	422	12	e	e	NOUN
ajset-646	422	13	e	e	NOUN
ajset-646	422	14	r	r	VERB
ajset-646	422	15	i	i	PRON
ajset-646	422	16	n	n	CCONJ
ajset-646	422	17	g	g	PROPN
ajset-646	422	18	a	a	DET
ajset-646	422	19	n	n	NOUN
ajset-646	422	20	d	d	NOUN
ajset-646	422	21	t	t	NOUN
ajset-646	422	22	e	e	X
ajset-646	422	23	c	c	NOUN
ajset-646	422	24	h	h	NOUN
ajset-646	422	25	n	n	ADV
ajset-646	422	26	o	o	NOUN
ajset-646	422	27	l	l	NOUN
ajset-646	423	1	o	o	X
ajset-646	423	2	g	g	NOUN
ajset-646	423	3	y	y	PROPN
ajset-646	423	4	|	|	ADV
ajset-646	423	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	423	6	heterolytically	heterolytically	ADV
ajset-646	423	7	cleaved	cleaved	ADJ
ajset-646	423	8	route	route	NOUN
ajset-646	423	9	.	.	PUNCT
ajset-646	424	1	in	in	ADP
ajset-646	424	2	analyzing	analyze	VERB
ajset-646	424	3	the	the	DET
ajset-646	424	4	h2	h2	NOUN
ajset-646	424	5	adduct	adduct	NOUN
ajset-646	424	6	intermediate	intermediate	ADJ
ajset-646	424	7	,	,	PUNCT
ajset-646	424	8	structure	structure	NOUN
ajset-646	424	9	appears	appear	VERB
ajset-646	424	10	to	to	PART
ajset-646	424	11	have	have	VERB
ajset-646	424	12	a	a	DET
ajset-646	424	13	large	large	ADJ
ajset-646	424	14	contribution	contribution	NOUN
ajset-646	424	15	in	in	ADP
ajset-646	424	16	controlling	control	VERB
ajset-646	424	17	whether	whether	SCONJ
ajset-646	424	18	the	the	DET
ajset-646	424	19	homolytic	homolytic	NOUN
ajset-646	424	20	or	or	CCONJ
ajset-646	424	21	heterolytic	heterolytic	ADJ
ajset-646	424	22	intermediate	intermediate	NOUN
ajset-646	424	23	is	be	AUX
ajset-646	424	24	formed	form	VERB
ajset-646	424	25	.	.	PUNCT
ajset-646	425	1	formation	formation	NOUN
ajset-646	425	2	of	of	ADP
ajset-646	425	3	a	a	DET
ajset-646	425	4	loosely	loosely	ADV
ajset-646	425	5	bound	bind	VERB
ajset-646	425	6	dihydrogen	dihydrogen	NOUN
ajset-646	425	7	complex	complex	NOUN
ajset-646	425	8	is	be	AUX
ajset-646	425	9	nearly	nearly	ADV
ajset-646	425	10	isoenergetic	isoenergetic	ADJ
ajset-646	425	11	with	with	ADP
ajset-646	425	12	the	the	DET
ajset-646	425	13	heterolytically	heterolytically	ADV
ajset-646	425	14	cleaved	cleave	VERB
ajset-646	425	15	intermediate	intermediate	ADJ
ajset-646	425	16	and	and	CCONJ
ajset-646	425	17	is	be	AUX
ajset-646	425	18	best	well	ADV
ajset-646	425	19	achieved	achieve	VERB
ajset-646	425	20	by	by	ADP
ajset-646	425	21	the	the	DET
ajset-646	425	22	complex	complex	NOUN
ajset-646	425	23	that	that	PRON
ajset-646	425	24	has	have	VERB
ajset-646	425	25	diphosphine	diphosphine	ADJ
ajset-646	425	26	rings	ring	NOUN
ajset-646	425	27	in	in	ADP
ajset-646	425	28	the	the	DET
ajset-646	425	29	boat	boat	NOUN
ajset-646	425	30	/	/	SYM
ajset-646	425	31	boat	boat	NOUN
ajset-646	425	32	configuration	configuration	NOUN
ajset-646	425	33	.	.	PUNCT
ajset-646	426	1	lastly	lastly	ADV
ajset-646	426	2	,	,	PUNCT
ajset-646	426	3	since	since	SCONJ
ajset-646	426	4	potential	potential	ADJ
ajset-646	426	5	is	be	AUX
ajset-646	426	6	proportional	proportional	ADJ
ajset-646	426	7	to	to	ADP
ajset-646	426	8	the	the	DET
ajset-646	426	9	free	free	ADJ
ajset-646	426	10	-	-	PUNCT
ajset-646	426	11	energy	energy	NOUN
ajset-646	426	12	,	,	PUNCT
ajset-646	426	13	lower	low	ADJ
ajset-646	426	14	potentials	potential	NOUN
ajset-646	426	15	correlate	correlate	VERB
ajset-646	426	16	with	with	ADP
ajset-646	426	17	smaller	small	ADJ
ajset-646	426	18	cost	cost	NOUN
ajset-646	426	19	in	in	ADP
ajset-646	426	20	free	free	ADJ
ajset-646	426	21	-	-	PUNCT
ajset-646	426	22	energy	energy	NOUN
ajset-646	426	23	.	.	PUNCT
ajset-646	427	1	from	from	ADP
ajset-646	427	2	the	the	DET
ajset-646	427	3	perspective	perspective	NOUN
ajset-646	427	4	of	of	ADP
ajset-646	427	5	the	the	DET
ajset-646	427	6	pourbaix	pourbaix	PROPN
ajset-646	427	7	diagrams	diagram	NOUN
ajset-646	427	8	,	,	PUNCT
ajset-646	427	9	the	the	DET
ajset-646	427	10	results	result	NOUN
ajset-646	427	11	indicate	indicate	VERB
ajset-646	427	12	that	that	SCONJ
ajset-646	427	13	lower	low	ADJ
ajset-646	427	14	potentials	potential	NOUN
ajset-646	427	15	are	be	AUX
ajset-646	427	16	needed	need	VERB
ajset-646	427	17	in	in	ADP
ajset-646	427	18	acidic	acidic	ADJ
ajset-646	427	19	ph	ph	ADJ
ajset-646	427	20	regions	region	NOUN
ajset-646	427	21	.	.	PUNCT
ajset-646	428	1	thus	thus	ADV
ajset-646	428	2	,	,	PUNCT
ajset-646	428	3	if	if	SCONJ
ajset-646	428	4	the	the	DET
ajset-646	428	5	asymmetric	asymmetric	ADJ
ajset-646	428	6	catalyst	catalyst	NOUN
ajset-646	428	7	can	can	AUX
ajset-646	428	8	be	be	AUX
ajset-646	428	9	stabilized	stabilize	VERB
ajset-646	428	10	in	in	ADP
ajset-646	428	11	acidic	acidic	ADJ
ajset-646	428	12	solution	solution	NOUN
ajset-646	428	13	through	through	ADP
ajset-646	428	14	the	the	DET
ajset-646	428	15	phenyl	phenyl	NOUN
ajset-646	428	16	ligands	ligand	NOUN
ajset-646	428	17	,	,	PUNCT
ajset-646	428	18	all	all	DET
ajset-646	428	19	optimal	optimal	ADJ
ajset-646	428	20	conditions	condition	NOUN
ajset-646	428	21	should	should	AUX
ajset-646	428	22	prevail	prevail	VERB
ajset-646	428	23	.	.	PUNCT
ajset-646	429	1	while	while	SCONJ
ajset-646	429	2	concepts	concept	NOUN
ajset-646	429	3	of	of	ADP
ajset-646	429	4	proton	proton	NOUN
ajset-646	429	5	management	management	NOUN
ajset-646	429	6	have	have	AUX
ajset-646	429	7	been	be	AUX
ajset-646	429	8	considered	consider	VERB
ajset-646	429	9	by	by	ADP
ajset-646	429	10	many	many	ADJ
ajset-646	429	11	investigators	investigator	NOUN
ajset-646	429	12	in	in	ADP
ajset-646	429	13	the	the	DET
ajset-646	429	14	catalysis	catalysis	NOUN
ajset-646	429	15	community,52	community,52	NOUN
ajset-646	429	16	we	we	PRON
ajset-646	429	17	are	be	AUX
ajset-646	429	18	unaware	unaware	ADJ
ajset-646	429	19	of	of	ADP
ajset-646	429	20	another	another	DET
ajset-646	429	21	study	study	NOUN
ajset-646	429	22	which	which	PRON
ajset-646	429	23	hinges	hinge	VERB
ajset-646	429	24	on	on	ADP
ajset-646	429	25	the	the	DET
ajset-646	429	26	connection	connection	NOUN
ajset-646	429	27	between	between	ADP
ajset-646	429	28	free	free	ADJ
ajset-646	429	29	-	-	PUNCT
ajset-646	429	30	energy	energy	NOUN
ajset-646	429	31	profiles	profile	NOUN
ajset-646	429	32	and	and	CCONJ
ajset-646	429	33	pourbaix	pourbaix	NOUN
ajset-646	429	34	diagrams	diagram	NOUN
ajset-646	429	35	as	as	ADP
ajset-646	429	36	a	a	DET
ajset-646	429	37	tool	tool	NOUN
ajset-646	429	38	to	to	PART
ajset-646	429	39	design	design	VERB
ajset-646	429	40	more	more	ADV
ajset-646	429	41	efficient	efficient	ADJ
ajset-646	429	42	h2	h2	NOUN
ajset-646	429	43	oxidation	oxidation	NOUN
ajset-646	429	44	and	and	CCONJ
ajset-646	429	45	production	production	NOUN
ajset-646	429	46	catalysts	catalyst	NOUN
ajset-646	429	47	.	.	PUNCT
ajset-646	430	1	our	our	PRON
ajset-646	430	2	paper	paper	NOUN
ajset-646	430	3	is	be	AUX
ajset-646	430	4	the	the	DET
ajset-646	430	5	second	second	ADJ
ajset-646	430	6	in	in	ADP
ajset-646	430	7	this	this	DET
ajset-646	430	8	direction	direction	NOUN
ajset-646	430	9	and	and	CCONJ
ajset-646	430	10	hopes	hope	VERB
ajset-646	430	11	to	to	PART
ajset-646	430	12	gain	gain	VERB
ajset-646	430	13	greater	great	ADJ
ajset-646	430	14	appeal	appeal	NOUN
ajset-646	430	15	based	base	VERB
ajset-646	430	16	on	on	ADP
ajset-646	430	17	the	the	DET
ajset-646	430	18	electrochemical	electrochemical	ADJ
ajset-646	430	19	insight	insight	NOUN
ajset-646	430	20	that	that	SCONJ
ajset-646	430	21	it	it	PRON
ajset-646	430	22	offers	offer	VERB
ajset-646	430	23	.	.	PUNCT
ajset-646	431	1	further	further	ADJ
ajset-646	431	2	studies	study	NOUN
ajset-646	431	3	of	of	ADP
ajset-646	431	4	this	this	DET
ajset-646	431	5	nature	nature	NOUN
ajset-646	431	6	will	will	AUX
ajset-646	431	7	of	of	ADP
ajset-646	431	8	course	course	NOUN
ajset-646	431	9	rely	rely	VERB
ajset-646	431	10	on	on	ADP
ajset-646	431	11	the	the	DET
ajset-646	431	12	availability	availability	NOUN
ajset-646	431	13	of	of	ADP
ajset-646	431	14	experimental	experimental	ADJ
ajset-646	431	15	data	datum	NOUN
ajset-646	431	16	in	in	ADP
ajset-646	431	17	the	the	DET
ajset-646	431	18	initial	initial	ADJ
ajset-646	431	19	stages	stage	NOUN
ajset-646	431	20	.	.	PUNCT
ajset-646	432	1	however	however	ADV
ajset-646	432	2	,	,	PUNCT
ajset-646	432	3	the	the	DET
ajset-646	432	4	outcome	outcome	NOUN
ajset-646	432	5	of	of	ADP
ajset-646	432	6	this	this	DET
ajset-646	432	7	study	study	NOUN
ajset-646	432	8	shows	show	VERB
ajset-646	432	9	great	great	ADJ
ajset-646	432	10	promise	promise	NOUN
ajset-646	432	11	in	in	ADP
ajset-646	432	12	the	the	DET
ajset-646	432	13	future	future	NOUN
ajset-646	432	14	of	of	ADP
ajset-646	432	15	designing	design	VERB
ajset-646	432	16	efficient	efficient	ADJ
ajset-646	432	17	catalysts	catalyst	NOUN
ajset-646	432	18	having	have	VERB
ajset-646	432	19	a	a	DET
ajset-646	432	20	larger	large	ADJ
ajset-646	432	21	electrochemical	electrochemical	ADJ
ajset-646	432	22	component	component	NOUN
ajset-646	432	23	.	.	PUNCT
ajset-646	433	1	acknowledgements	acknowledgement	VERB
ajset-646	433	2	the	the	DET
ajset-646	433	3	work	work	NOUN
ajset-646	433	4	at	at	ADP
ajset-646	433	5	bnl	bnl	PROPN
ajset-646	433	6	was	be	AUX
ajset-646	433	7	supported	support	VERB
ajset-646	433	8	by	by	ADP
ajset-646	433	9	doe	doe	NOUN
ajset-646	433	10	under	under	ADP
ajset-646	433	11	contract	contract	NOUN
ajset-646	433	12	de	de	X
ajset-646	433	13	-	-	NOUN
ajset-646	433	14	ac0298ch10886	ac0298ch10886	X
ajset-646	433	15	(	(	PUNCT
ajset-646	433	16	division	division	NOUN
ajset-646	433	17	of	of	ADP
ajset-646	433	18	chemical	chemical	ADJ
ajset-646	433	19	sciences	science	NOUN
ajset-646	433	20	and	and	CCONJ
ajset-646	433	21	its	its	PRON
ajset-646	433	22	scientific	scientific	ADJ
ajset-646	433	23	user	user	NOUN
ajset-646	433	24	facilities	facility	NOUN
ajset-646	433	25	division	division	NOUN
ajset-646	433	26	)	)	PUNCT
ajset-646	433	27	.	.	PUNCT
ajset-646	434	1	this	this	DET
ajset-646	434	2	research	research	NOUN
ajset-646	434	3	utilized	utilize	VERB
ajset-646	434	4	resources	resource	NOUN
ajset-646	434	5	at	at	ADP
ajset-646	434	6	the	the	DET
ajset-646	434	7	new	new	PROPN
ajset-646	434	8	york	york	PROPN
ajset-646	434	9	center	center	PROPN
ajset-646	434	10	for	for	ADP
ajset-646	434	11	computational	computational	ADJ
ajset-646	434	12	sciences	science	NOUN
ajset-646	434	13	(	(	PUNCT
ajset-646	434	14	nyccs	nyccs	NOUN
ajset-646	434	15	)	)	PUNCT
ajset-646	434	16	at	at	ADP
ajset-646	434	17	stony	stony	PROPN
ajset-646	434	18	brook	brook	PROPN
ajset-646	434	19	university	university	PROPN
ajset-646	434	20	/	/	SYM
ajset-646	434	21	brookhaven	brookhaven	PROPN
ajset-646	434	22	national	national	PROPN
ajset-646	434	23	laboratory	laboratory	PROPN
ajset-646	434	24	which	which	PRON
ajset-646	434	25	was	be	AUX
ajset-646	434	26	supported	support	VERB
ajset-646	434	27	by	by	ADP
ajset-646	434	28	the	the	DET
ajset-646	434	29	u.s	u.s	PROPN
ajset-646	434	30	.	.	PROPN
ajset-646	434	31	department	department	PROPN
ajset-646	434	32	of	of	ADP
ajset-646	434	33	energy	energy	NOUN
ajset-646	434	34	under	under	ADP
ajset-646	434	35	contract	contract	NOUN
ajset-646	434	36	no	no	INTJ
ajset-646	434	37	.	.	PUNCT
ajset-646	435	1	de	de	PROPN
ajset-646	435	2	-	-	PROPN
ajset-646	435	3	ac02	ac02	PROPN
ajset-646	435	4	-	-	PUNCT
ajset-646	435	5	98ch10886	98ch10886	PROPN
ajset-646	435	6	and	and	CCONJ
ajset-646	435	7	by	by	ADP
ajset-646	435	8	the	the	DET
ajset-646	435	9	state	state	NOUN
ajset-646	435	10	of	of	ADP
ajset-646	435	11	new	new	PROPN
ajset-646	435	12	york	york	PROPN
ajset-646	435	13	,	,	PUNCT
ajset-646	435	14	and	and	CCONJ
ajset-646	435	15	at	at	ADP
ajset-646	435	16	the	the	DET
ajset-646	435	17	bnl	bnl	PROPN
ajset-646	435	18	center	center	NOUN
ajset-646	435	19	for	for	ADP
ajset-646	435	20	functional	functional	ADJ
ajset-646	435	21	nanomaterials	nanomaterial	NOUN
ajset-646	435	22	(	(	PUNCT
ajset-646	435	23	cfn	cfn	NOUN
ajset-646	435	24	)	)	PUNCT
ajset-646	435	25	.	.	PUNCT
ajset-646	436	1	references	reference	NOUN
ajset-646	436	2	arnold	arnold	PROPN
ajset-646	436	3	,	,	PUNCT
ajset-646	436	4	f.	f.	PROPN
ajset-646	436	5	h.	h.	PROPN
ajset-646	436	6	nature	nature	PROPN
ajset-646	436	7	2001	2001	NUM
ajset-646	436	8	,	,	PUNCT
ajset-646	436	9	409	409	NUM
ajset-646	436	10	,	,	PUNCT
ajset-646	436	11	253	253	NUM
ajset-646	436	12	-	-	SYM
ajset-646	436	13	257	257	NUM
ajset-646	436	14	.	.	PUNCT
ajset-646	437	1	cortright	cortright	PROPN
ajset-646	437	2	,	,	PUNCT
ajset-646	437	3	r.	r.	PROPN
ajset-646	437	4	d.	d.	PROPN
ajset-646	437	5	;	;	PUNCT
ajset-646	437	6	davda	davda	PROPN
ajset-646	437	7	,	,	PUNCT
ajset-646	437	8	r.	r.	PROPN
ajset-646	437	9	r.	r.	PROPN
ajset-646	437	10	;	;	PUNCT
ajset-646	437	11	dumesic	dumesic	ADJ
ajset-646	437	12	,	,	PUNCT
ajset-646	437	13	j.	j.	PROPN
ajset-646	437	14	a.	a.	PROPN
ajset-646	437	15	nature	nature	PROPN
ajset-646	437	16	2002	2002	NUM
ajset-646	437	17	,	,	PUNCT
ajset-646	437	18	418	418	NUM
ajset-646	437	19	,	,	PUNCT
ajset-646	437	20	964	964	NUM
ajset-646	437	21	-	-	SYM
ajset-646	437	22	967	967	NUM
ajset-646	437	23	.	.	PUNCT
ajset-646	438	1	kamat	kamat	PROPN
ajset-646	438	2	,	,	PUNCT
ajset-646	438	3	p.	p.	PROPN
ajset-646	438	4	v.	v.	ADP
ajset-646	438	5	journal	journal	PROPN
ajset-646	438	6	of	of	ADP
ajset-646	438	7	physical	physical	ADJ
ajset-646	438	8	chemistry	chemistry	NOUN
ajset-646	438	9	c	c	PROPN
ajset-646	438	10	2007	2007	NUM
ajset-646	438	11	,	,	PUNCT
ajset-646	438	12	111	111	NUM
ajset-646	438	13	,	,	PUNCT
ajset-646	438	14	2834	2834	NUM
ajset-646	438	15	-	-	SYM
ajset-646	438	16	2860	2860	NUM
ajset-646	438	17	.	.	PUNCT
ajset-646	439	1	ni	ni	PROPN
ajset-646	439	2	,	,	PUNCT
ajset-646	439	3	m.	m.	NOUN
ajset-646	439	4	;	;	PUNCT
ajset-646	439	5	leung	leung	PROPN
ajset-646	439	6	,	,	PUNCT
ajset-646	439	7	m.	m.	PROPN
ajset-646	439	8	k.	k.	PROPN
ajset-646	439	9	h.	h.	PROPN
ajset-646	439	10	;	;	PUNCT
ajset-646	439	11	leung	leung	PROPN
ajset-646	439	12	,	,	PUNCT
ajset-646	439	13	d.	d.	PROPN
ajset-646	439	14	y.	y.	PROPN
ajset-646	439	15	c.	c.	PROPN
ajset-646	439	16	;	;	PUNCT
ajset-646	439	17	sumathy	sumathy	PROPN
ajset-646	439	18	,	,	PUNCT
ajset-646	439	19	k.	k.	PROPN
ajset-646	439	20	renewable	renewable	PROPN
ajset-646	439	21	&	&	CCONJ
ajset-646	439	22	sustainable	sustainable	ADJ
ajset-646	439	23	energy	energy	NOUN
ajset-646	439	24	reviews	review	NOUN
ajset-646	439	25	2007	2007	NUM
ajset-646	439	26	,	,	PUNCT
ajset-646	439	27	11	11	NUM
ajset-646	439	28	,	,	PUNCT
ajset-646	439	29	401425	401425	NUM
ajset-646	439	30	.	.	PUNCT
ajset-646	440	1	lubitz	lubitz	PROPN
ajset-646	440	2	,	,	PUNCT
ajset-646	440	3	w.	w.	PROPN
ajset-646	440	4	;	;	PUNCT
ajset-646	440	5	reijerse	reijerse	ADJ
ajset-646	440	6	,	,	PUNCT
ajset-646	440	7	e.	e.	PROPN
ajset-646	440	8	j.	j.	PROPN
ajset-646	440	9	;	;	PUNCT
ajset-646	440	10	messinger	messinger	PROPN
ajset-646	440	11	,	,	PUNCT
ajset-646	440	12	j.	j.	PROPN
ajset-646	440	13	energy	energy	PROPN
ajset-646	440	14	&	&	CCONJ
ajset-646	440	15	environmental	environmental	ADJ
ajset-646	440	16	science	science	NOUN
ajset-646	440	17	2008	2008	NUM
ajset-646	440	18	,	,	PUNCT
ajset-646	440	19	1	1	NUM
ajset-646	440	20	,	,	PUNCT
ajset-646	440	21	1531	1531	NUM
ajset-646	440	22	.	.	PUNCT
ajset-646	441	1	kudo	kudo	PROPN
ajset-646	441	2	,	,	PUNCT
ajset-646	441	3	a.	a.	PROPN
ajset-646	441	4	;	;	PUNCT
ajset-646	441	5	kato	kato	PROPN
ajset-646	441	6	,	,	PUNCT
ajset-646	441	7	h.	h.	PROPN
ajset-646	441	8	;	;	PUNCT
ajset-646	441	9	tsuji	tsuji	PROPN
ajset-646	441	10	,	,	PUNCT
ajset-646	441	11	i.	i.	PROPN
ajset-646	441	12	chemistry	chemistry	PROPN
ajset-646	441	13	letters	letter	NOUN
ajset-646	441	14	2004	2004	NUM
ajset-646	441	15	,	,	PUNCT
ajset-646	441	16	33	33	NUM
ajset-646	441	17	,	,	PUNCT
ajset-646	441	18	1534	1534	NUM
ajset-646	441	19	-	-	SYM
ajset-646	441	20	1539	1539	NUM
ajset-646	441	21	.	.	PUNCT
ajset-646	442	1	chong	chong	PROPN
ajset-646	442	2	,	,	PUNCT
ajset-646	442	3	d.	d.	PROPN
ajset-646	442	4	s.	s.	PROPN
ajset-646	442	5	;	;	PUNCT
ajset-646	442	6	georgakaki	georgakaki	NOUN
ajset-646	442	7	,	,	PUNCT
ajset-646	442	8	i.	i.	PROPN
ajset-646	442	9	p.	p.	PROPN
ajset-646	442	10	;	;	PUNCT
ajset-646	442	11	mejia	mejia	PROPN
ajset-646	442	12	-	-	PUNCT
ajset-646	442	13	rodriguez	rodriguez	PROPN
ajset-646	442	14	,	,	PUNCT
ajset-646	442	15	r.	r.	PROPN
ajset-646	442	16	;	;	PUNCT
ajset-646	442	17	samabria	samabria	NOUN
ajset-646	442	18	-	-	PUNCT
ajset-646	442	19	chinchilla	chinchilla	NOUN
ajset-646	442	20	,	,	PUNCT
ajset-646	442	21	j.	j.	PROPN
ajset-646	442	22	;	;	PUNCT
ajset-646	442	23	soriaga	soriaga	NOUN
ajset-646	442	24	,	,	PUNCT
ajset-646	442	25	m.	m.	NOUN
ajset-646	442	26	p.	p.	NOUN
ajset-646	442	27	;	;	PUNCT
ajset-646	442	28	darensbourg	darensbourg	NOUN
ajset-646	442	29	,	,	PUNCT
ajset-646	442	30	m.	m.	NOUN
ajset-646	442	31	y.	y.	PROPN
ajset-646	442	32	dalton	dalton	PROPN
ajset-646	442	33	transactions	transactions	PROPN
ajset-646	442	34	2003	2003	NUM
ajset-646	442	35	,	,	PUNCT
ajset-646	442	36	4158	4158	NUM
ajset-646	442	37	-	-	SYM
ajset-646	442	38	4163	4163	NUM
ajset-646	442	39	.	.	PUNCT
ajset-646	443	1	rauchfuss	rauchfuss	ADJ
ajset-646	443	2	,	,	PUNCT
ajset-646	443	3	t.	t.	PROPN
ajset-646	443	4	b.	b.	PROPN
ajset-646	443	5	science	science	PROPN
ajset-646	443	6	2007	2007	NUM
ajset-646	443	7	,	,	PUNCT
ajset-646	443	8	317	317	NUM
ajset-646	443	9	,	,	PUNCT
ajset-646	443	10	43	43	NUM
ajset-646	443	11	-	-	SYM
ajset-646	443	12	43	43	NUM
ajset-646	443	13	.	.	PUNCT
ajset-646	444	1	berning	berne	VERB
ajset-646	444	2	,	,	PUNCT
ajset-646	444	3	d.	d.	PROPN
ajset-646	444	4	e.	e.	PROPN
ajset-646	444	5	;	;	PUNCT
ajset-646	444	6	miedaner	miedaner	PROPN
ajset-646	444	7	,	,	PUNCT
ajset-646	444	8	a.	a.	NOUN
ajset-646	444	9	;	;	PUNCT
ajset-646	444	10	curtis	curtis	PROPN
ajset-646	444	11	,	,	PUNCT
ajset-646	444	12	c.	c.	PROPN
ajset-646	444	13	j.	j.	PROPN
ajset-646	444	14	;	;	PUNCT
ajset-646	444	15	noll	noll	PROPN
ajset-646	444	16	,	,	PUNCT
ajset-646	444	17	b.	b.	PROPN
ajset-646	444	18	c.	c.	PROPN
ajset-646	444	19	;	;	PUNCT
ajset-646	444	20	dubois	dubois	PROPN
ajset-646	444	21	,	,	PUNCT
ajset-646	444	22	m.	m.	PROPN
ajset-646	444	23	c.	c.	PROPN
ajset-646	444	24	r.	r.	PROPN
ajset-646	444	25	;	;	PUNCT
ajset-646	444	26	dubois	dubois	PROPN
ajset-646	444	27	,	,	PUNCT
ajset-646	444	28	d.	d.	PROPN
ajset-646	444	29	l.	l.	PROPN
ajset-646	444	30	organometallics	organometallics	PROPN
ajset-646	444	31	2001	2001	NUM
ajset-646	444	32	,	,	PUNCT
ajset-646	444	33	20	20	NUM
ajset-646	444	34	,	,	PUNCT
ajset-646	444	35	1832	1832	NUM
ajset-646	444	36	-	-	SYM
ajset-646	444	37	1839	1839	NUM
ajset-646	444	38	.	.	PUNCT
ajset-646	445	1	dubois	dubois	PROPN
ajset-646	445	2	,	,	PUNCT
ajset-646	445	3	m.	m.	PROPN
ajset-646	445	4	r.	r.	PROPN
ajset-646	445	5	;	;	PUNCT
ajset-646	445	6	dubois	dubois	PROPN
ajset-646	445	7	,	,	PUNCT
ajset-646	445	8	d.	d.	PROPN
ajset-646	445	9	l.	l.	PROPN
ajset-646	445	10	comptes	comptes	PROPN
ajset-646	445	11	rendus	rendus	PROPN
ajset-646	445	12	chimie	chimie	PROPN
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ajset-646	445	14	,	,	PUNCT
ajset-646	445	15	11	11	NUM
ajset-646	445	16	,	,	PUNCT
ajset-646	445	17	805	805	NUM
ajset-646	445	18	-	-	SYM
ajset-646	445	19	817	817	NUM
ajset-646	445	20	.	.	PUNCT
ajset-646	446	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
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ajset-646	446	3	journal	journal	NOUN
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ajset-646	446	5	science	science	NOUN
ajset-646	446	6	,	,	PUNCT
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ajset-646	446	10	vol.6	vol.6	PROPN
ajset-646	446	11	,	,	PUNCT
ajset-646	446	12	issue	issue	NOUN
ajset-646	446	13	5	5	NUM
ajset-646	446	14	;	;	PUNCT
ajset-646	446	15	september	september	PROPN
ajset-646	446	16	october	october	PROPN
ajset-646	446	17	2021	2021	NUM
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ajset-646	446	19	1252	1252	NUM
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ajset-646	446	21	rd	rd	PROPN
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ajset-646	446	28	states	states	PROPN
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ajset-646	446	30	;	;	PUNCT
ajset-646	446	31	mail	mail	NOUN
ajset-646	446	32	:	:	PUNCT
ajset-646	446	33	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	447	1	21	21	NUM
ajset-646	448	1	|	|	ADV
ajset-646	448	2	a	a	DET
ajset-646	448	3	c	c	NOUN
ajset-646	448	4	a	a	PRON
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ajset-646	448	8	i	i	NOUN
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ajset-646	448	11	o	o	X
ajset-646	448	12	u	u	NOUN
ajset-646	448	13	r	r	NOUN
ajset-646	448	14	n	n	NOUN
ajset-646	448	15	a	a	DET
ajset-646	448	16	l	l	NOUN
ajset-646	449	1	o	o	X
ajset-646	449	2	f	f	X
ajset-646	449	3	s	s	X
ajset-646	449	4	c	c	NOUN
ajset-646	450	1	i	i	NOUN
ajset-646	450	2	e	e	PROPN
ajset-646	450	3	n	n	PROPN
ajset-646	450	4	c	c	NOUN
ajset-646	450	5	e	e	X
ajset-646	450	6	,	,	PUNCT
ajset-646	450	7	e	e	PROPN
ajset-646	450	8	n	n	PRON
ajset-646	450	9	g	g	NOUN
ajset-646	450	10	i	i	PRON
ajset-646	450	11	n	n	VERB
ajset-646	450	12	e	e	NOUN
ajset-646	450	13	e	e	NOUN
ajset-646	450	14	r	r	VERB
ajset-646	450	15	i	i	PRON
ajset-646	450	16	n	n	CCONJ
ajset-646	450	17	g	g	PROPN
ajset-646	450	18	a	a	DET
ajset-646	450	19	n	n	NOUN
ajset-646	450	20	d	d	NOUN
ajset-646	450	21	t	t	NOUN
ajset-646	450	22	e	e	X
ajset-646	450	23	c	c	NOUN
ajset-646	450	24	h	h	NOUN
ajset-646	450	25	n	n	ADV
ajset-646	450	26	o	o	NOUN
ajset-646	450	27	l	l	NOUN
ajset-646	451	1	o	o	X
ajset-646	451	2	g	g	NOUN
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ajset-646	451	4	|	|	ADV
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ajset-646	451	8	g.	g.	PROPN
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ajset-646	451	13	r.	r.	PROPN
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ajset-646	451	16	mcnevin	mcnevin	PROPN
ajset-646	451	17	,	,	PUNCT
ajset-646	451	18	m.	m.	PROPN
ajset-646	451	19	j.	j.	PROPN
ajset-646	451	20	;	;	PUNCT
ajset-646	451	21	dubois	dubois	PROPN
ajset-646	451	22	,	,	PUNCT
ajset-646	451	23	m.	m.	PROPN
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ajset-646	451	26	dubois	dubois	PROPN
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ajset-646	451	28	d.	d.	PROPN
ajset-646	451	29	l.	l.	PROPN
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ajset-646	451	33	26	26	NUM
ajset-646	451	34	,	,	PUNCT
ajset-646	451	35	5003	5003	NUM
ajset-646	451	36	-	-	SYM
ajset-646	451	37	5009	5009	NUM
ajset-646	451	38	.	.	PUNCT
ajset-646	452	1	curtis	curtis	PROPN
ajset-646	452	2	,	,	PUNCT
ajset-646	452	3	c.	c.	PROPN
ajset-646	452	4	j.	j.	PROPN
ajset-646	452	5	;	;	PUNCT
ajset-646	452	6	miedaner	miedaner	PROPN
ajset-646	452	7	,	,	PUNCT
ajset-646	452	8	a.	a.	NOUN
ajset-646	452	9	;	;	PUNCT
ajset-646	452	10	ciancanelli	ciancanelli	PROPN
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ajset-646	452	12	r.	r.	PROPN
ajset-646	452	13	;	;	PUNCT
ajset-646	452	14	ellis	ellis	PROPN
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ajset-646	452	16	w.	w.	PROPN
ajset-646	452	17	w.	w.	PROPN
ajset-646	452	18	;	;	PUNCT
ajset-646	452	19	noll	noll	PROPN
ajset-646	452	20	,	,	PUNCT
ajset-646	452	21	b.	b.	PROPN
ajset-646	452	22	c.	c.	PROPN
ajset-646	452	23	;	;	PUNCT
ajset-646	452	24	dubois	dubois	PROPN
ajset-646	452	25	,	,	PUNCT
ajset-646	452	26	m.	m.	PROPN
ajset-646	452	27	r.	r.	PROPN
ajset-646	452	28	;	;	PUNCT
ajset-646	452	29	dubois	dubois	PROPN
ajset-646	452	30	,	,	PUNCT
ajset-646	452	31	d.	d.	PROPN
ajset-646	452	32	l.	l.	PROPN
ajset-646	452	33	inorganic	inorganic	PROPN
ajset-646	452	34	chemistry	chemistry	PROPN
ajset-646	452	35	2003	2003	NUM
ajset-646	452	36	,	,	PUNCT
ajset-646	452	37	42	42	NUM
ajset-646	452	38	,	,	PUNCT
ajset-646	452	39	216	216	NUM
ajset-646	452	40	-	-	SYM
ajset-646	452	41	227	227	NUM
ajset-646	452	42	.	.	PUNCT
ajset-646	452	43	yang	yang	PROPN
ajset-646	452	44	,	,	PUNCT
ajset-646	452	45	j.	j.	PROPN
ajset-646	452	46	y.	y.	PROPN
ajset-646	452	47	;	;	PUNCT
ajset-646	452	48	bullock	bullock	PROPN
ajset-646	452	49	,	,	PUNCT
ajset-646	452	50	r.	r.	PROPN
ajset-646	452	51	m.	m.	PROPN
ajset-646	452	52	;	;	PUNCT
ajset-646	452	53	dougherty	dougherty	PROPN
ajset-646	452	54	,	,	PUNCT
ajset-646	452	55	w.	w.	PROPN
ajset-646	452	56	g.	g.	PROPN
ajset-646	452	57	;	;	PUNCT
ajset-646	452	58	kassel	kassel	PROPN
ajset-646	452	59	,	,	PUNCT
ajset-646	452	60	w.	w.	PROPN
ajset-646	452	61	s.	s.	PROPN
ajset-646	452	62	;	;	PUNCT
ajset-646	452	63	twamley	twamley	PROPN
ajset-646	452	64	,	,	PUNCT
ajset-646	452	65	b.	b.	PROPN
ajset-646	452	66	;	;	PUNCT
ajset-646	452	67	dubois	dubois	PROPN
ajset-646	452	68	,	,	PUNCT
ajset-646	452	69	d.	d.	PROPN
ajset-646	452	70	l.	l.	PROPN
ajset-646	452	71	;	;	PUNCT
ajset-646	452	72	dubois	dubois	PROPN
ajset-646	452	73	,	,	PUNCT
ajset-646	452	74	m.	m.	PROPN
ajset-646	452	75	r.	r.	PROPN
ajset-646	452	76	dalton	dalton	PROPN
ajset-646	452	77	transactions	transaction	NOUN
ajset-646	452	78	,	,	PUNCT
ajset-646	452	79	39	39	NUM
ajset-646	452	80	,	,	PUNCT
ajset-646	452	81	3001	3001	NUM
ajset-646	452	82	-	-	SYM
ajset-646	452	83	3010	3010	NUM
ajset-646	452	84	.	.	PUNCT
ajset-646	453	1	yang	yang	PROPN
ajset-646	453	2	,	,	PUNCT
ajset-646	453	3	j.	j.	PROPN
ajset-646	453	4	y.	y.	PROPN
ajset-646	453	5	;	;	PUNCT
ajset-646	453	6	bullock	bullock	PROPN
ajset-646	453	7	,	,	PUNCT
ajset-646	453	8	r.	r.	PROPN
ajset-646	453	9	m.	m.	PROPN
ajset-646	453	10	;	;	PUNCT
ajset-646	453	11	shaw	shaw	PROPN
ajset-646	453	12	,	,	PUNCT
ajset-646	453	13	w.	w.	PROPN
ajset-646	453	14	j.	j.	PROPN
ajset-646	453	15	;	;	PUNCT
ajset-646	453	16	twamley	twamley	PROPN
ajset-646	453	17	,	,	PUNCT
ajset-646	453	18	b.	b.	PROPN
ajset-646	453	19	;	;	PUNCT
ajset-646	453	20	fraze	fraze	NOUN
ajset-646	453	21	,	,	PUNCT
ajset-646	453	22	k.	k.	PROPN
ajset-646	453	23	;	;	PUNCT
ajset-646	453	24	dubois	dubois	PROPN
ajset-646	453	25	,	,	PUNCT
ajset-646	453	26	m.	m.	PROPN
ajset-646	453	27	r.	r.	PROPN
ajset-646	453	28	;	;	PUNCT
ajset-646	453	29	dubois	dubois	PROPN
ajset-646	453	30	,	,	PUNCT
ajset-646	453	31	d.	d.	PROPN
ajset-646	453	32	l.	l.	PROPN
ajset-646	453	33	journal	journal	PROPN
ajset-646	453	34	of	of	ADP
ajset-646	453	35	the	the	DET
ajset-646	453	36	american	american	PROPN
ajset-646	453	37	chemical	chemical	PROPN
ajset-646	453	38	society	society	PROPN
ajset-646	453	39	2009	2009	NUM
ajset-646	453	40	,	,	PUNCT
ajset-646	453	41	131	131	NUM
ajset-646	453	42	,	,	PUNCT
ajset-646	453	43	59355945	59355945	NUM
ajset-646	453	44	.	.	PUNCT
ajset-646	454	1	dubois	dubois	PROPN
ajset-646	454	2	,	,	PUNCT
ajset-646	454	3	d.	d.	PROPN
ajset-646	454	4	l.	l.	PROPN
ajset-646	454	5	;	;	PUNCT
ajset-646	454	6	bullock	bullock	PROPN
ajset-646	454	7	,	,	PUNCT
ajset-646	454	8	r.	r.	PROPN
ajset-646	454	9	m.	m.	PROPN
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ajset-646	454	11	journal	journal	PROPN
ajset-646	454	12	of	of	ADP
ajset-646	454	13	inorganic	inorganic	ADJ
ajset-646	454	14	chemistry	chemistry	NOUN
ajset-646	454	15	2011	2011	NUM
ajset-646	454	16	,	,	PUNCT
ajset-646	454	17	10171027	10171027	NUM
ajset-646	454	18	.	.	PUNCT
ajset-646	455	1	dubois	dubois	PROPN
ajset-646	455	2	,	,	PUNCT
ajset-646	455	3	m.	m.	PROPN
ajset-646	455	4	r.	r.	PROPN
ajset-646	455	5	;	;	PUNCT
ajset-646	455	6	dubois	dubois	PROPN
ajset-646	455	7	,	,	PUNCT
ajset-646	455	8	d.	d.	PROPN
ajset-646	455	9	l.	l.	PROPN
ajset-646	455	10	chemical	chemical	PROPN
ajset-646	455	11	society	society	PROPN
ajset-646	455	12	reviews	review	VERB
ajset-646	455	13	2009	2009	NUM
ajset-646	455	14	,	,	PUNCT
ajset-646	455	15	38	38	NUM
ajset-646	455	16	,	,	PUNCT
ajset-646	455	17	62	62	NUM
ajset-646	455	18	-	-	SYM
ajset-646	455	19	72	72	NUM
ajset-646	455	20	.	.	PUNCT
ajset-646	456	1	pool	pool	NOUN
ajset-646	456	2	,	,	PUNCT
ajset-646	456	3	d.	d.	PROPN
ajset-646	456	4	h.	h.	PROPN
ajset-646	456	5	;	;	PUNCT
ajset-646	456	6	dubois	dubois	PROPN
ajset-646	456	7	,	,	PUNCT
ajset-646	456	8	d.	d.	PROPN
ajset-646	456	9	l.	l.	PROPN
ajset-646	456	10	journal	journal	PROPN
ajset-646	456	11	of	of	ADP
ajset-646	456	12	organometallic	organometallic	ADJ
ajset-646	456	13	chemistry	chemistry	NOUN
ajset-646	456	14	2009	2009	NUM
ajset-646	456	15	,	,	PUNCT
ajset-646	456	16	694	694	NUM
ajset-646	456	17	,	,	PUNCT
ajset-646	456	18	28582865	28582865	NUM
ajset-646	456	19	.	.	PUNCT
ajset-646	457	1	redin	redin	NOUN
ajset-646	457	2	,	,	PUNCT
ajset-646	457	3	k.	k.	PROPN
ajset-646	457	4	;	;	PUNCT
ajset-646	457	5	wilson	wilson	PROPN
ajset-646	457	6	,	,	PUNCT
ajset-646	457	7	a.	a.	PROPN
ajset-646	457	8	d.	d.	PROPN
ajset-646	457	9	;	;	PUNCT
ajset-646	457	10	newell	newell	PROPN
ajset-646	457	11	,	,	PUNCT
ajset-646	457	12	r.	r.	PROPN
ajset-646	457	13	;	;	PUNCT
ajset-646	457	14	dubois	dubois	PROPN
ajset-646	457	15	,	,	PUNCT
ajset-646	457	16	m.	m.	PROPN
ajset-646	457	17	r.	r.	PROPN
ajset-646	457	18	;	;	PUNCT
ajset-646	457	19	dubois	dubois	PROPN
ajset-646	457	20	,	,	PUNCT
ajset-646	457	21	d.	d.	PROPN
ajset-646	457	22	l.	l.	PROPN
ajset-646	457	23	inorganic	inorganic	PROPN
ajset-646	457	24	chemistry	chemistry	NOUN
ajset-646	457	25	2007	2007	NUM
ajset-646	457	26	,	,	PUNCT
ajset-646	457	27	46	46	NUM
ajset-646	457	28	,	,	PUNCT
ajset-646	457	29	1268	1268	NUM
ajset-646	457	30	-	-	SYM
ajset-646	457	31	1276	1276	NUM
ajset-646	457	32	.	.	PUNCT
ajset-646	458	1	wilson	wilson	PROPN
ajset-646	458	2	,	,	PUNCT
ajset-646	458	3	a.	a.	PROPN
ajset-646	458	4	d.	d.	PROPN
ajset-646	458	5	;	;	PUNCT
ajset-646	458	6	fraze	fraze	NOUN
ajset-646	458	7	,	,	PUNCT
ajset-646	458	8	k.	k.	PROPN
ajset-646	458	9	;	;	PUNCT
ajset-646	458	10	twamley	twamley	PROPN
ajset-646	458	11	,	,	PUNCT
ajset-646	458	12	b.	b.	PROPN
ajset-646	458	13	;	;	PUNCT
ajset-646	458	14	miller	miller	PROPN
ajset-646	458	15	,	,	PUNCT
ajset-646	458	16	s.	s.	PROPN
ajset-646	458	17	m.	m.	PROPN
ajset-646	458	18	;	;	PUNCT
ajset-646	458	19	dubois	dubois	PROPN
ajset-646	458	20	,	,	PUNCT
ajset-646	458	21	d.	d.	PROPN
ajset-646	458	22	l.	l.	PROPN
ajset-646	458	23	;	;	PUNCT
ajset-646	458	24	dubois	dubois	PROPN
ajset-646	458	25	,	,	PUNCT
ajset-646	458	26	m.	m.	PROPN
ajset-646	458	27	r.	r.	PROPN
ajset-646	458	28	journal	journal	PROPN
ajset-646	458	29	of	of	ADP
ajset-646	458	30	the	the	DET
ajset-646	458	31	american	american	PROPN
ajset-646	458	32	chemical	chemical	PROPN
ajset-646	458	33	society	society	PROPN
ajset-646	458	34	2008	2008	NUM
ajset-646	458	35	,	,	PUNCT
ajset-646	458	36	130	130	NUM
ajset-646	458	37	,	,	PUNCT
ajset-646	458	38	1061	1061	NUM
ajset-646	458	39	-	-	SYM
ajset-646	458	40	1068	1068	NUM
ajset-646	458	41	.	.	PUNCT
ajset-646	459	1	wilson	wilson	PROPN
ajset-646	459	2	,	,	PUNCT
ajset-646	459	3	a.	a.	PROPN
ajset-646	459	4	d.	d.	PROPN
ajset-646	459	5	;	;	PUNCT
ajset-646	459	6	newell	newell	PROPN
ajset-646	459	7	,	,	PUNCT
ajset-646	459	8	r.	r.	PROPN
ajset-646	459	9	h.	h.	PROPN
ajset-646	459	10	;	;	PUNCT
ajset-646	459	11	mcnevin	mcnevin	PROPN
ajset-646	459	12	,	,	PUNCT
ajset-646	459	13	m.	m.	PROPN
ajset-646	459	14	j.	j.	PROPN
ajset-646	459	15	;	;	PUNCT
ajset-646	459	16	muckerman	muckerman	PROPN
ajset-646	459	17	,	,	PUNCT
ajset-646	459	18	j.	j.	PROPN
ajset-646	459	19	t.	t.	PROPN
ajset-646	459	20	;	;	PUNCT
ajset-646	459	21	dubois	dubois	PROPN
ajset-646	459	22	,	,	PUNCT
ajset-646	459	23	m.	m.	PROPN
ajset-646	459	24	r.	r.	PROPN
ajset-646	459	25	;	;	PUNCT
ajset-646	459	26	dubois	dubois	PROPN
ajset-646	459	27	,	,	PUNCT
ajset-646	459	28	d.	d.	PROPN
ajset-646	459	29	l.	l.	PROPN
ajset-646	459	30	journal	journal	PROPN
ajset-646	459	31	of	of	ADP
ajset-646	459	32	the	the	DET
ajset-646	459	33	american	american	PROPN
ajset-646	459	34	chemical	chemical	PROPN
ajset-646	459	35	society	society	PROPN
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ajset-646	459	37	,	,	PUNCT
ajset-646	459	38	128	128	NUM
ajset-646	459	39	,	,	PUNCT
ajset-646	459	40	358	358	NUM
ajset-646	459	41	-	-	SYM
ajset-646	459	42	366	366	NUM
ajset-646	459	43	.	.	PUNCT
ajset-646	460	1	wilson	wilson	PROPN
ajset-646	460	2	,	,	PUNCT
ajset-646	460	3	a.	a.	PROPN
ajset-646	460	4	d.	d.	PROPN
ajset-646	460	5	;	;	PUNCT
ajset-646	460	6	shoemaker	shoemaker	PROPN
ajset-646	460	7	,	,	PUNCT
ajset-646	460	8	r.	r.	PROPN
ajset-646	460	9	k.	k.	PROPN
ajset-646	460	10	;	;	PUNCT
ajset-646	460	11	miedaner	miedaner	PROPN
ajset-646	460	12	,	,	PUNCT
ajset-646	460	13	a.	a.	NOUN
ajset-646	460	14	;	;	PUNCT
ajset-646	460	15	muckerman	muckerman	NOUN
ajset-646	460	16	,	,	PUNCT
ajset-646	460	17	j.	j.	PROPN
ajset-646	460	18	t.	t.	PROPN
ajset-646	460	19	;	;	PUNCT
ajset-646	460	20	dubois	dubois	PROPN
ajset-646	460	21	,	,	PUNCT
ajset-646	460	22	d.	d.	PROPN
ajset-646	460	23	l.	l.	PROPN
ajset-646	460	24	;	;	PUNCT
ajset-646	460	25	dubois	dubois	PROPN
ajset-646	460	26	,	,	PUNCT
ajset-646	460	27	m.	m.	NOUN
ajset-646	460	28	r.	r.	PROPN
ajset-646	460	29	proceedings	proceeding	NOUN
ajset-646	460	30	of	of	ADP
ajset-646	460	31	the	the	DET
ajset-646	460	32	national	national	PROPN
ajset-646	460	33	academy	academy	PROPN
ajset-646	460	34	of	of	ADP
ajset-646	460	35	sciences	sciences	PROPN
ajset-646	460	36	of	of	ADP
ajset-646	460	37	the	the	DET
ajset-646	460	38	united	united	PROPN
ajset-646	460	39	states	states	PROPN
ajset-646	460	40	of	of	ADP
ajset-646	460	41	america	america	PROPN
ajset-646	460	42	2007	2007	NUM
ajset-646	460	43	,	,	PUNCT
ajset-646	460	44	104	104	NUM
ajset-646	460	45	,	,	PUNCT
ajset-646	460	46	6951	6951	NUM
ajset-646	460	47	-	-	SYM
ajset-646	460	48	6956	6956	NUM
ajset-646	460	49	.	.	PUNCT
ajset-646	461	1	frey	frey	PROPN
ajset-646	461	2	,	,	PUNCT
ajset-646	461	3	m.	m.	NOUN
ajset-646	461	4	chembiochem	chembiochem	PROPN
ajset-646	461	5	2002	2002	NUM
ajset-646	461	6	,	,	PUNCT
ajset-646	461	7	3	3	NUM
ajset-646	461	8	,	,	PUNCT
ajset-646	461	9	153	153	NUM
ajset-646	461	10	-	-	SYM
ajset-646	461	11	160	160	NUM
ajset-646	461	12	.	.	PUNCT
ajset-646	461	13	andzelm	andzelm	PROPN
ajset-646	461	14	,	,	PUNCT
ajset-646	461	15	j.	j.	PROPN
ajset-646	461	16	;	;	PUNCT
ajset-646	461	17	kolmel	kolmel	PROPN
ajset-646	461	18	,	,	PUNCT
ajset-646	461	19	c.	c.	PROPN
ajset-646	461	20	;	;	PUNCT
ajset-646	461	21	klamt	klamt	PROPN
ajset-646	461	22	,	,	PUNCT
ajset-646	461	23	a.	a.	NOUN
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ajset-646	461	25	of	of	ADP
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ajset-646	461	28	1995	1995	NUM
ajset-646	461	29	,	,	PUNCT
ajset-646	461	30	103	103	NUM
ajset-646	461	31	,	,	PUNCT
ajset-646	461	32	9312	9312	NUM
ajset-646	461	33	-	-	SYM
ajset-646	461	34	9320	9320	NUM
ajset-646	461	35	.	.	PUNCT
ajset-646	462	1	becke	becke	NOUN
ajset-646	462	2	,	,	PUNCT
ajset-646	462	3	a.	a.	PROPN
ajset-646	462	4	d.	d.	PROPN
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ajset-646	462	6	review	review	PROPN
ajset-646	462	7	a	a	DET
ajset-646	462	8	1988	1988	NUM
ajset-646	462	9	,	,	PUNCT
ajset-646	462	10	38	38	NUM
ajset-646	462	11	,	,	PUNCT
ajset-646	462	12	3098	3098	NUM
ajset-646	462	13	-	-	SYM
ajset-646	462	14	3100	3100	NUM
ajset-646	462	15	.	.	PUNCT
ajset-646	463	1	becke	becke	NOUN
ajset-646	463	2	,	,	PUNCT
ajset-646	463	3	a.	a.	PROPN
ajset-646	463	4	d.	d.	PROPN
ajset-646	463	5	journal	journal	PROPN
ajset-646	463	6	of	of	ADP
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ajset-646	463	9	1993	1993	NUM
ajset-646	463	10	,	,	PUNCT
ajset-646	463	11	98	98	NUM
ajset-646	463	12	,	,	PUNCT
ajset-646	463	13	5648	5648	NUM
ajset-646	463	14	-	-	SYM
ajset-646	463	15	5652	5652	NUM
ajset-646	463	16	.	.	PUNCT
ajset-646	464	1	lee	lee	PROPN
ajset-646	464	2	,	,	PUNCT
ajset-646	464	3	c.	c.	PROPN
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ajset-646	464	5	;	;	PUNCT
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ajset-646	464	7	,	,	PUNCT
ajset-646	464	8	w.	w.	PROPN
ajset-646	464	9	t.	t.	PROPN
ajset-646	464	10	;	;	PUNCT
ajset-646	464	11	parr	parr	PROPN
ajset-646	464	12	,	,	PUNCT
ajset-646	464	13	r.	r.	PROPN
ajset-646	464	14	g.	g.	PROPN
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ajset-646	464	16	review	review	PROPN
ajset-646	464	17	b	b	PROPN
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ajset-646	464	19	,	,	PUNCT
ajset-646	464	20	37	37	NUM
ajset-646	464	21	,	,	PUNCT
ajset-646	464	22	785	785	NUM
ajset-646	464	23	-	-	SYM
ajset-646	464	24	789	789	NUM
ajset-646	464	25	.	.	PUNCT
ajset-646	465	1	frisch	frisch	PROPN
ajset-646	465	2	,	,	PUNCT
ajset-646	465	3	a.	a.	NOUN
ajset-646	465	4	;	;	PUNCT
ajset-646	465	5	frisch	frisch	PROPN
ajset-646	465	6	,	,	PUNCT
ajset-646	465	7	m.	m.	NOUN
ajset-646	465	8	j.	j.	PROPN
ajset-646	465	9	;	;	PUNCT
ajset-646	465	10	trucks	truck	NOUN
ajset-646	465	11	,	,	PUNCT
ajset-646	465	12	g.	g.	PROPN
ajset-646	465	13	w.	w.	PROPN
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ajset-646	466	1	user	user	NOUN
ajset-646	466	2	's	's	PART
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ajset-646	466	4	;	;	PUNCT
ajset-646	466	5	gaussian	gaussian	ADJ
ajset-646	466	6	:	:	PUNCT
ajset-646	466	7	carnagie	carnagie	PROPN
ajset-646	466	8	,	,	PUNCT
ajset-646	466	9	pa	pa	PROPN
ajset-646	466	10	,	,	PUNCT
ajset-646	466	11	2003	2003	NUM
ajset-646	466	12	.	.	PUNCT
ajset-646	467	1	frisch	frisch	PROPN
ajset-646	467	2	,	,	PUNCT
ajset-646	467	3	m.	m.	NOUN
ajset-646	467	4	j.	j.	PROPN
ajset-646	467	5	;	;	PUNCT
ajset-646	467	6	trucks	truck	NOUN
ajset-646	467	7	,	,	PUNCT
ajset-646	467	8	g.	g.	PROPN
ajset-646	467	9	w.	w.	PROPN
ajset-646	467	10	;	;	PUNCT
ajset-646	467	11	schlegel	schlegel	PROPN
ajset-646	467	12	,	,	PUNCT
ajset-646	467	13	h.	h.	PROPN
ajset-646	467	14	b.	b.	PROPN
ajset-646	467	15	;	;	PUNCT
ajset-646	467	16	scuseria	scuseria	PROPN
ajset-646	467	17	,	,	PUNCT
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ajset-646	467	20	;	;	PUNCT
ajset-646	467	21	robb	robb	NOUN
ajset-646	467	22	,	,	PUNCT
ajset-646	467	23	m.	m.	NOUN
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ajset-646	467	25	;	;	PUNCT
ajset-646	467	26	cheeseman	cheeseman	PROPN
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ajset-646	467	38	,	,	PUNCT
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ajset-646	467	40	;	;	PUNCT
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ajset-646	467	43	k.	k.	PROPN
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ajset-646	467	48	j.	j.	PROPN
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ajset-646	467	50	;	;	PUNCT
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ajset-646	467	63	,	,	PUNCT
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ajset-646	467	70	;	;	PUNCT
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ajset-646	467	77	dc	dc	PROPN
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ajset-646	467	82	;	;	PUNCT
ajset-646	467	83	mail	mail	NOUN
ajset-646	467	84	:	:	PUNCT
ajset-646	468	1	topacademicjournals@gmail.com	topacademicjournals@gmail.com	X
ajset-646	469	1	22	22	NUM
ajset-646	470	1	|	|	ADV
ajset-646	470	2	a	a	DET
ajset-646	470	3	c	c	NOUN
ajset-646	470	4	a	a	PRON
ajset-646	470	5	d	d	X
ajset-646	470	6	e	e	NOUN
ajset-646	470	7	m	m	NOUN
ajset-646	470	8	i	i	NOUN
ajset-646	470	9	c	c	NOUN
ajset-646	470	10	j	j	NOUN
ajset-646	470	11	o	o	X
ajset-646	470	12	u	u	NOUN
ajset-646	470	13	r	r	NOUN
ajset-646	470	14	n	n	NOUN
ajset-646	470	15	a	a	DET
ajset-646	470	16	l	l	NOUN
ajset-646	471	1	o	o	X
ajset-646	471	2	f	f	X
ajset-646	471	3	s	s	X
ajset-646	471	4	c	c	NOUN
ajset-646	472	1	i	i	NOUN
ajset-646	472	2	e	e	PROPN
ajset-646	472	3	n	n	PROPN
ajset-646	472	4	c	c	NOUN
ajset-646	472	5	e	e	X
ajset-646	472	6	,	,	PUNCT
ajset-646	472	7	e	e	PROPN
ajset-646	472	8	n	n	PRON
ajset-646	472	9	g	g	NOUN
ajset-646	472	10	i	i	PRON
ajset-646	472	11	n	n	VERB
ajset-646	472	12	e	e	NOUN
ajset-646	472	13	e	e	NOUN
ajset-646	472	14	r	r	VERB
ajset-646	472	15	i	i	PRON
ajset-646	472	16	n	n	CCONJ
ajset-646	472	17	g	g	PROPN
ajset-646	472	18	a	a	DET
ajset-646	472	19	n	n	NOUN
ajset-646	472	20	d	d	NOUN
ajset-646	472	21	t	t	NOUN
ajset-646	472	22	e	e	X
ajset-646	472	23	c	c	NOUN
ajset-646	472	24	h	h	NOUN
ajset-646	472	25	n	n	ADV
ajset-646	472	26	o	o	NOUN
ajset-646	472	27	l	l	NOUN
ajset-646	473	1	o	o	X
ajset-646	473	2	g	g	NOUN
ajset-646	473	3	y	y	PROPN
ajset-646	473	4	|	|	ADV
ajset-646	473	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	473	6	j.	j.	PROPN
ajset-646	473	7	m.	m.	PROPN
ajset-646	473	8	;	;	PUNCT
ajset-646	473	9	iyengar	iyengar	PROPN
ajset-646	473	10	,	,	PUNCT
ajset-646	473	11	s.	s.	PROPN
ajset-646	473	12	s.	s.	PROPN
ajset-646	473	13	;	;	PUNCT
ajset-646	473	14	tomasi	tomasi	PROPN
ajset-646	473	15	,	,	PUNCT
ajset-646	473	16	j.	j.	PROPN
ajset-646	473	17	;	;	PUNCT
ajset-646	473	18	barone	barone	PROPN
ajset-646	473	19	,	,	PUNCT
ajset-646	473	20	v.	v.	PROPN
ajset-646	473	21	;	;	PUNCT
ajset-646	473	22	mennucci	mennucci	PROPN
ajset-646	473	23	,	,	PUNCT
ajset-646	473	24	b.	b.	PROPN
ajset-646	473	25	;	;	PUNCT
ajset-646	473	26	cossi	cossi	PROPN
ajset-646	473	27	,	,	PUNCT
ajset-646	473	28	m.	m.	NOUN
ajset-646	473	29	;	;	PUNCT
ajset-646	473	30	scalmani	scalmani	PROPN
ajset-646	473	31	,	,	PUNCT
ajset-646	473	32	g.	g.	PROPN
ajset-646	473	33	;	;	PUNCT
ajset-646	473	34	rega	rega	PROPN
ajset-646	473	35	,	,	PUNCT
ajset-646	473	36	n.	n.	NOUN
ajset-646	473	37	;	;	PUNCT
ajset-646	473	38	petersson	petersson	PROPN
ajset-646	473	39	,	,	PUNCT
ajset-646	473	40	g.	g.	PROPN
ajset-646	473	41	a.	a.	PROPN
ajset-646	473	42	;	;	PUNCT
ajset-646	473	43	nakatsuji	nakatsuji	PROPN
ajset-646	473	44	,	,	PUNCT
ajset-646	473	45	h.	h.	PROPN
ajset-646	473	46	;	;	PUNCT
ajset-646	473	47	hada	hada	PROPN
ajset-646	473	48	,	,	PUNCT
ajset-646	473	49	m.	m.	NOUN
ajset-646	473	50	;	;	PUNCT
ajset-646	473	51	ehara	ehara	PROPN
ajset-646	473	52	,	,	PUNCT
ajset-646	473	53	m.	m.	NOUN
ajset-646	473	54	;	;	PUNCT
ajset-646	473	55	toyota	toyota	PROPN
ajset-646	473	56	,	,	PUNCT
ajset-646	473	57	k.	k.	PROPN
ajset-646	473	58	;	;	PUNCT
ajset-646	473	59	fukuda	fukuda	PROPN
ajset-646	473	60	,	,	PUNCT
ajset-646	473	61	r.	r.	PROPN
ajset-646	473	62	;	;	PUNCT
ajset-646	473	63	hasegawa	hasegawa	PROPN
ajset-646	473	64	,	,	PUNCT
ajset-646	473	65	j.	j.	PROPN
ajset-646	473	66	;	;	PUNCT
ajset-646	473	67	ishida	ishida	PROPN
ajset-646	473	68	,	,	PUNCT
ajset-646	473	69	m.	m.	NOUN
ajset-646	473	70	;	;	PUNCT
ajset-646	473	71	nakajima	nakajima	PROPN
ajset-646	473	72	,	,	PUNCT
ajset-646	473	73	t.	t.	PROPN
ajset-646	473	74	;	;	PUNCT
ajset-646	473	75	honda	honda	NOUN
ajset-646	473	76	,	,	PUNCT
ajset-646	473	77	y.	y.	PROPN
ajset-646	473	78	;	;	PUNCT
ajset-646	473	79	kitao	kitao	PROPN
ajset-646	473	80	,	,	PUNCT
ajset-646	473	81	o.	o.	PROPN
ajset-646	473	82	;	;	PUNCT
ajset-646	473	83	nakai	nakai	PROPN
ajset-646	473	84	,	,	PUNCT
ajset-646	473	85	h.	h.	PROPN
ajset-646	473	86	;	;	PUNCT
ajset-646	473	87	klene	klene	PROPN
ajset-646	473	88	,	,	PUNCT
ajset-646	473	89	m.	m.	NOUN
ajset-646	473	90	;	;	PUNCT
ajset-646	473	91	li	li	PROPN
ajset-646	473	92	,	,	PUNCT
ajset-646	473	93	x.	x.	PROPN
ajset-646	473	94	;	;	PUNCT
ajset-646	473	95	knox	knox	PROPN
ajset-646	473	96	,	,	PUNCT
ajset-646	473	97	j.	j.	PROPN
ajset-646	473	98	e.	e.	PROPN
ajset-646	473	99	;	;	PUNCT
ajset-646	473	100	hratchian	hratchian	PROPN
ajset-646	473	101	,	,	PUNCT
ajset-646	473	102	h.	h.	PROPN
ajset-646	473	103	p.	p.	PROPN
ajset-646	473	104	;	;	PUNCT
ajset-646	473	105	cross	cross	PROPN
ajset-646	473	106	,	,	PUNCT
ajset-646	473	107	j.	j.	PROPN
ajset-646	473	108	b.	b.	PROPN
ajset-646	473	109	;	;	PUNCT
ajset-646	473	110	bakken	bakken	PROPN
ajset-646	473	111	,	,	PUNCT
ajset-646	473	112	v.	v.	PROPN
ajset-646	473	113	;	;	PUNCT
ajset-646	473	114	adamo	adamo	PROPN
ajset-646	473	115	,	,	PUNCT
ajset-646	473	116	c.	c.	PROPN
ajset-646	473	117	;	;	PUNCT
ajset-646	473	118	jaramillo	jaramillo	PROPN
ajset-646	473	119	,	,	PUNCT
ajset-646	473	120	j.	j.	PROPN
ajset-646	473	121	;	;	PUNCT
ajset-646	473	122	gomperts	gomperts	PROPN
ajset-646	473	123	,	,	PUNCT
ajset-646	473	124	r.	r.	PROPN
ajset-646	473	125	;	;	PUNCT
ajset-646	473	126	stratmann	stratmann	PROPN
ajset-646	473	127	,	,	PUNCT
ajset-646	473	128	r.	r.	PROPN
ajset-646	473	129	e.	e.	PROPN
ajset-646	473	130	;	;	PUNCT
ajset-646	473	131	yazyev	yazyev	PROPN
ajset-646	473	132	,	,	PUNCT
ajset-646	473	133	o.	o.	PROPN
ajset-646	473	134	;	;	PUNCT
ajset-646	473	135	austin	austin	PROPN
ajset-646	473	136	,	,	PUNCT
ajset-646	473	137	a.	a.	PROPN
ajset-646	473	138	j.	j.	PROPN
ajset-646	473	139	;	;	PUNCT
ajset-646	473	140	cammi	cammi	PROPN
ajset-646	473	141	,	,	PUNCT
ajset-646	473	142	r.	r.	PROPN
ajset-646	473	143	;	;	PUNCT
ajset-646	473	144	pomelli	pomelli	PROPN
ajset-646	473	145	,	,	PUNCT
ajset-646	473	146	c.	c.	NOUN
ajset-646	473	147	;	;	PUNCT
ajset-646	473	148	ochterski	ochterski	PROPN
ajset-646	473	149	,	,	PUNCT
ajset-646	473	150	j.	j.	PROPN
ajset-646	473	151	w.	w.	PROPN
ajset-646	473	152	;	;	PUNCT
ajset-646	473	153	ayala	ayala	PROPN
ajset-646	473	154	,	,	PUNCT
ajset-646	473	155	p.	p.	PROPN
ajset-646	473	156	y.	y.	PROPN
ajset-646	473	157	;	;	PUNCT
ajset-646	473	158	morokuma	morokuma	PROPN
ajset-646	473	159	,	,	PUNCT
ajset-646	473	160	k.	k.	PROPN
ajset-646	473	161	;	;	PUNCT
ajset-646	473	162	voth	voth	PROPN
ajset-646	473	163	,	,	PUNCT
ajset-646	473	164	g.	g.	PROPN
ajset-646	473	165	a.	a.	PROPN
ajset-646	473	166	;	;	PUNCT
ajset-646	473	167	salvador	salvador	PROPN
ajset-646	473	168	,	,	PUNCT
ajset-646	473	169	p.	p.	PROPN
ajset-646	473	170	;	;	PUNCT
ajset-646	473	171	dannenberg	dannenberg	PROPN
ajset-646	473	172	,	,	PUNCT
ajset-646	473	173	j.	j.	PROPN
ajset-646	473	174	j.	j.	PROPN
ajset-646	473	175	;	;	PUNCT
ajset-646	473	176	zakrzewski	zakrzewski	PROPN
ajset-646	473	177	,	,	PUNCT
ajset-646	473	178	v.	v.	PROPN
ajset-646	473	179	g.	g.	PROPN
ajset-646	473	180	;	;	PUNCT
ajset-646	473	181	dapprich	dapprich	PROPN
ajset-646	473	182	,	,	PUNCT
ajset-646	473	183	s.	s.	PROPN
ajset-646	473	184	;	;	PUNCT
ajset-646	473	185	daniels	daniels	PROPN
ajset-646	473	186	,	,	PUNCT
ajset-646	473	187	a.	a.	PROPN
ajset-646	473	188	d.	d.	PROPN
ajset-646	473	189	;	;	PUNCT
ajset-646	473	190	strain	strain	NOUN
ajset-646	473	191	,	,	PUNCT
ajset-646	473	192	m.	m.	NOUN
ajset-646	473	193	c.	c.	PROPN
ajset-646	473	194	;	;	PUNCT
ajset-646	473	195	farkas	farkas	PROPN
ajset-646	473	196	,	,	PUNCT
ajset-646	473	197	o.	o.	PROPN
ajset-646	473	198	;	;	PUNCT
ajset-646	473	199	malick	malick	PROPN
ajset-646	473	200	,	,	PUNCT
ajset-646	473	201	d.	d.	PROPN
ajset-646	473	202	k.	k.	PROPN
ajset-646	473	203	;	;	PUNCT
ajset-646	473	204	rabuck	rabuck	VERB
ajset-646	473	205	,	,	PUNCT
ajset-646	473	206	a.	a.	PROPN
ajset-646	473	207	d.	d.	PROPN
ajset-646	473	208	;	;	PUNCT
ajset-646	473	209	raghavachari	raghavachari	PROPN
ajset-646	473	210	,	,	PUNCT
ajset-646	473	211	k.	k.	PROPN
ajset-646	473	212	;	;	PUNCT
ajset-646	473	213	foresman	foresman	PROPN
ajset-646	473	214	,	,	PUNCT
ajset-646	473	215	j.	j.	PROPN
ajset-646	473	216	b.	b.	PROPN
ajset-646	473	217	;	;	PUNCT
ajset-646	473	218	ortiz	ortiz	PROPN
ajset-646	473	219	,	,	PUNCT
ajset-646	473	220	j.	j.	PROPN
ajset-646	473	221	v.	v.	PROPN
ajset-646	473	222	;	;	PUNCT
ajset-646	473	223	cui	cui	PROPN
ajset-646	473	224	,	,	PUNCT
ajset-646	473	225	q.	q.	PROPN
ajset-646	473	226	;	;	PUNCT
ajset-646	473	227	baboul	baboul	ADJ
ajset-646	473	228	,	,	PUNCT
ajset-646	473	229	a.	a.	NOUN
ajset-646	473	230	g.	g.	PROPN
ajset-646	473	231	;	;	PUNCT
ajset-646	473	232	clifford	clifford	PROPN
ajset-646	473	233	,	,	PUNCT
ajset-646	473	234	s.	s.	PROPN
ajset-646	473	235	;	;	PUNCT
ajset-646	473	236	cioslowski	cioslowski	PROPN
ajset-646	473	237	,	,	PUNCT
ajset-646	473	238	j.	j.	PROPN
ajset-646	473	239	;	;	PUNCT
ajset-646	473	240	stefanov	stefanov	PROPN
ajset-646	473	241	,	,	PUNCT
ajset-646	473	242	b.	b.	PROPN
ajset-646	473	243	b.	b.	PROPN
ajset-646	473	244	;	;	PUNCT
ajset-646	473	245	liu	liu	PROPN
ajset-646	473	246	,	,	PUNCT
ajset-646	473	247	g.	g.	PROPN
ajset-646	473	248	;	;	PUNCT
ajset-646	473	249	liashenko	liashenko	PROPN
ajset-646	473	250	,	,	PUNCT
ajset-646	473	251	a.	a.	NOUN
ajset-646	473	252	;	;	PUNCT
ajset-646	473	253	piskorz	piskorz	PROPN
ajset-646	473	254	,	,	PUNCT
ajset-646	473	255	p.	p.	NOUN
ajset-646	473	256	;	;	PUNCT
ajset-646	473	257	komaromi	komaromi	NOUN
ajset-646	473	258	,	,	PUNCT
ajset-646	473	259	i.	i.	NOUN
ajset-646	473	260	;	;	PUNCT
ajset-646	473	261	martin	martin	PROPN
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ajset-646	473	263	r.	r.	PROPN
ajset-646	473	264	l.	l.	PROPN
ajset-646	473	265	;	;	PUNCT
ajset-646	473	266	fox	fox	PROPN
ajset-646	473	267	,	,	PUNCT
ajset-646	473	268	d.	d.	PROPN
ajset-646	473	269	j.	j.	PROPN
ajset-646	473	270	;	;	PUNCT
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ajset-646	473	272	,	,	PUNCT
ajset-646	473	273	t.	t.	PROPN
ajset-646	473	274	;	;	PUNCT
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ajset-646	473	297	p.	p.	PROPN
ajset-646	473	298	m.	m.	PROPN
ajset-646	473	299	w.	w.	PROPN
ajset-646	473	300	;	;	PUNCT
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ajset-646	473	302	,	,	PUNCT
ajset-646	473	303	b.	b.	PROPN
ajset-646	473	304	;	;	PUNCT
ajset-646	473	305	chen	chen	PROPN
ajset-646	473	306	,	,	PUNCT
ajset-646	473	307	w.	w.	PROPN
ajset-646	473	308	;	;	PUNCT
ajset-646	473	309	wong	wong	PROPN
ajset-646	473	310	,	,	PUNCT
ajset-646	473	311	m.	m.	PROPN
ajset-646	473	312	w.	w.	PROPN
ajset-646	473	313	;	;	PUNCT
ajset-646	473	314	gonzalez	gonzalez	PROPN
ajset-646	473	315	,	,	PUNCT
ajset-646	473	316	c.	c.	PROPN
ajset-646	473	317	;	;	PUNCT
ajset-646	473	318	pople	pople	PROPN
ajset-646	473	319	,	,	PUNCT
ajset-646	473	320	j.	j.	PROPN
ajset-646	473	321	a.	a.	PROPN
ajset-646	473	322	;	;	PUNCT
ajset-646	473	323	gaussian	gaussian	PROPN
ajset-646	473	324	,	,	PUNCT
ajset-646	473	325	inc	inc	PROPN
ajset-646	473	326	.	.	PROPN
ajset-646	473	327	:	:	PUNCT
ajset-646	474	1	wallingford	wallingford	PROPN
ajset-646	474	2	,	,	PUNCT
ajset-646	474	3	ct	ct	PROPN
ajset-646	474	4	,	,	PUNCT
ajset-646	474	5	2003	2003	NUM
ajset-646	474	6	.	.	PUNCT
ajset-646	475	1	takano	takano	PROPN
ajset-646	475	2	,	,	PUNCT
ajset-646	475	3	y.	y.	PROPN
ajset-646	475	4	;	;	PUNCT
ajset-646	475	5	houk	houk	PROPN
ajset-646	475	6	,	,	PUNCT
ajset-646	475	7	k.	k.	PROPN
ajset-646	475	8	n.	n.	PROPN
ajset-646	475	9	journal	journal	PROPN
ajset-646	475	10	of	of	ADP
ajset-646	475	11	chemical	chemical	PROPN
ajset-646	475	12	theory	theory	NOUN
ajset-646	475	13	and	and	CCONJ
ajset-646	475	14	computation	computation	NOUN
ajset-646	475	15	2005	2005	NUM
ajset-646	475	16	,	,	PUNCT
ajset-646	475	17	1	1	NUM
ajset-646	475	18	,	,	PUNCT
ajset-646	475	19	7077	7077	NUM
ajset-646	475	20	.	.	PUNCT
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ajset-646	475	23	b.	b.	PROPN
ajset-646	475	24	;	;	PUNCT
ajset-646	475	25	camaioni	camaioni	PROPN
ajset-646	475	26	,	,	PUNCT
ajset-646	475	27	d.	d.	PROPN
ajset-646	475	28	m.	m.	PROPN
ajset-646	475	29	;	;	PUNCT
ajset-646	475	30	dupuis	dupuis	NOUN
ajset-646	475	31	,	,	PUNCT
ajset-646	475	32	m.	m.	NOUN
ajset-646	475	33	;	;	PUNCT
ajset-646	475	34	schwerdtfeger	schwerdtfeger	NOUN
ajset-646	475	35	,	,	PUNCT
ajset-646	475	36	c.	c.	PROPN
ajset-646	475	37	a.	a.	PROPN
ajset-646	475	38	;	;	PUNCT
ajset-646	475	39	gil	gil	PROPN
ajset-646	475	40	,	,	PUNCT
ajset-646	475	41	q.	q.	PROPN
ajset-646	475	42	journal	journal	PROPN
ajset-646	475	43	of	of	ADP
ajset-646	475	44	physical	physical	ADJ
ajset-646	475	45	chemistry	chemistry	NOUN
ajset-646	475	46	a	a	DET
ajset-646	475	47	2008	2008	NUM
ajset-646	475	48	,	,	PUNCT
ajset-646	475	49	112	112	NUM
ajset-646	475	50	,	,	PUNCT
ajset-646	475	51	10604	10604	NUM
ajset-646	475	52	-	-	SYM
ajset-646	475	53	10613	10613	NUM
ajset-646	475	54	.	.	PUNCT
ajset-646	476	1	klamt	klamt	PROPN
ajset-646	476	2	,	,	PUNCT
ajset-646	476	3	a.	a.	NOUN
ajset-646	476	4	;	;	PUNCT
ajset-646	476	5	schuurmann	schuurmann	PROPN
ajset-646	476	6	,	,	PUNCT
ajset-646	476	7	g.	g.	PROPN
ajset-646	476	8	journal	journal	PROPN
ajset-646	476	9	of	of	ADP
ajset-646	476	10	the	the	DET
ajset-646	476	11	chemical	chemical	NOUN
ajset-646	476	12	society	society	PROPN
ajset-646	476	13	-	-	PUNCT
ajset-646	476	14	perkin	perkin	NOUN
ajset-646	476	15	transactions	transaction	NOUN
ajset-646	476	16	2	2	NUM
ajset-646	476	17	1993	1993	NUM
ajset-646	476	18	,	,	PUNCT
ajset-646	476	19	799	799	NUM
ajset-646	476	20	-	-	SYM
ajset-646	476	21	805	805	NUM
ajset-646	476	22	.	.	PUNCT
ajset-646	477	1	liptak	liptak	PROPN
ajset-646	477	2	,	,	PUNCT
ajset-646	477	3	m.	m.	NOUN
ajset-646	477	4	d.	d.	PROPN
ajset-646	477	5	;	;	PUNCT
ajset-646	477	6	shields	shield	NOUN
ajset-646	477	7	,	,	PUNCT
ajset-646	477	8	g.	g.	PROPN
ajset-646	477	9	c.	c.	PROPN
ajset-646	477	10	journal	journal	PROPN
ajset-646	477	11	of	of	ADP
ajset-646	477	12	the	the	DET
ajset-646	477	13	american	american	PROPN
ajset-646	477	14	chemical	chemical	PROPN
ajset-646	477	15	society	society	NOUN
ajset-646	477	16	2001	2001	NUM
ajset-646	477	17	,	,	PUNCT
ajset-646	477	18	123	123	NUM
ajset-646	477	19	,	,	PUNCT
ajset-646	477	20	7314	7314	NUM
ajset-646	477	21	-	-	SYM
ajset-646	477	22	7319	7319	NUM
ajset-646	477	23	.	.	PUNCT
ajset-646	478	1	barone	barone	PROPN
ajset-646	478	2	,	,	PUNCT
ajset-646	478	3	v.	v.	PROPN
ajset-646	478	4	;	;	PUNCT
ajset-646	478	5	cossi	cossi	NOUN
ajset-646	478	6	,	,	PUNCT
ajset-646	478	7	m.	m.	NOUN
ajset-646	478	8	;	;	PUNCT
ajset-646	478	9	tomasi	tomasi	PROPN
ajset-646	478	10	,	,	PUNCT
ajset-646	478	11	j.	j.	PROPN
ajset-646	478	12	journal	journal	PROPN
ajset-646	478	13	of	of	ADP
ajset-646	478	14	chemical	chemical	PROPN
ajset-646	478	15	physics	physic	NOUN
ajset-646	478	16	1997	1997	NUM
ajset-646	478	17	,	,	PUNCT
ajset-646	478	18	107	107	NUM
ajset-646	478	19	,	,	PUNCT
ajset-646	478	20	3210	3210	NUM
ajset-646	478	21	-	-	SYM
ajset-646	478	22	3221	3221	NUM
ajset-646	478	23	.	.	PUNCT
ajset-646	479	1	bondi	bondi	PROPN
ajset-646	479	2	,	,	PUNCT
ajset-646	479	3	a.	a.	PROPN
ajset-646	479	4	journal	journal	PROPN
ajset-646	479	5	of	of	ADP
ajset-646	479	6	physical	physical	ADJ
ajset-646	479	7	chemistry	chemistry	NOUN
ajset-646	479	8	1964	1964	NUM
ajset-646	479	9	,	,	PUNCT
ajset-646	479	10	68	68	NUM
ajset-646	479	11	,	,	PUNCT
ajset-646	479	12	441-	441-	NUM
ajset-646	479	13	&	&	CCONJ
ajset-646	479	14	.	.	PUNCT
ajset-646	480	1	chauvin	chauvin	PROPN
ajset-646	480	2	,	,	PUNCT
ajset-646	480	3	r.	r.	PROPN
ajset-646	480	4	journal	journal	PROPN
ajset-646	480	5	of	of	ADP
ajset-646	480	6	physical	physical	ADJ
ajset-646	480	7	chemistry	chemistry	NOUN
ajset-646	480	8	1992	1992	NUM
ajset-646	480	9	,	,	PUNCT
ajset-646	480	10	96	96	NUM
ajset-646	480	11	,	,	PUNCT
ajset-646	480	12	9194	9194	NUM
ajset-646	480	13	-	-	SYM
ajset-646	480	14	9197	9197	NUM
ajset-646	480	15	.	.	PUNCT
ajset-646	481	1	rowland	rowland	PROPN
ajset-646	481	2	,	,	PUNCT
ajset-646	481	3	r.	r.	PROPN
ajset-646	481	4	s.	s.	PROPN
ajset-646	481	5	;	;	PUNCT
ajset-646	481	6	taylor	taylor	PROPN
ajset-646	481	7	,	,	PUNCT
ajset-646	481	8	r.	r.	PROPN
ajset-646	481	9	journal	journal	PROPN
ajset-646	481	10	of	of	ADP
ajset-646	481	11	physical	physical	ADJ
ajset-646	481	12	chemistry	chemistry	NOUN
ajset-646	481	13	1996	1996	NUM
ajset-646	481	14	,	,	PUNCT
ajset-646	481	15	100	100	NUM
ajset-646	481	16	,	,	PUNCT
ajset-646	481	17	7384	7384	NUM
ajset-646	481	18	-	-	SYM
ajset-646	481	19	7391	7391	NUM
ajset-646	481	20	.	.	PUNCT
ajset-646	482	1	zhao	zhao	NOUN
ajset-646	482	2	,	,	PUNCT
ajset-646	482	3	x.	x.	NOUN
ajset-646	482	4	;	;	PUNCT
ajset-646	482	5	georgakaki	georgakaki	NOUN
ajset-646	482	6	,	,	PUNCT
ajset-646	482	7	i.	i.	PROPN
ajset-646	482	8	p.	p.	PROPN
ajset-646	482	9	;	;	PUNCT
ajset-646	482	10	miller	miller	PROPN
ajset-646	482	11	,	,	PUNCT
ajset-646	482	12	m.	m.	PROPN
ajset-646	482	13	l.	l.	PROPN
ajset-646	482	14	;	;	PUNCT
ajset-646	482	15	mejia	mejia	PROPN
ajset-646	482	16	-	-	PUNCT
ajset-646	482	17	rodriguez	rodriguez	PROPN
ajset-646	482	18	,	,	PUNCT
ajset-646	482	19	r.	r.	PROPN
ajset-646	482	20	;	;	PUNCT
ajset-646	482	21	chiang	chiang	PROPN
ajset-646	482	22	,	,	PUNCT
ajset-646	482	23	c.	c.	PROPN
ajset-646	482	24	y.	y.	PROPN
ajset-646	482	25	;	;	PUNCT
ajset-646	482	26	darensbourg	darensbourg	PROPN
ajset-646	482	27	,	,	PUNCT
ajset-646	482	28	m.	m.	NOUN
ajset-646	482	29	y.	y.	PROPN
ajset-646	482	30	inorganic	inorganic	PROPN
ajset-646	482	31	chemistry	chemistry	NOUN
ajset-646	482	32	2002	2002	NUM
ajset-646	482	33	,	,	PUNCT
ajset-646	482	34	41	41	NUM
ajset-646	482	35	,	,	PUNCT
ajset-646	482	36	3917	3917	NUM
ajset-646	482	37	-	-	SYM
ajset-646	482	38	3928	3928	NUM
ajset-646	482	39	.	.	PUNCT
ajset-646	483	1	nunes	nunes	PROPN
ajset-646	483	2	,	,	PUNCT
ajset-646	483	3	g.	g.	PROPN
ajset-646	483	4	s.	s.	PROPN
ajset-646	483	5	;	;	PUNCT
ajset-646	483	6	alexiou	alexiou	NOUN
ajset-646	483	7	,	,	PUNCT
ajset-646	483	8	a.	a.	PROPN
ajset-646	483	9	d.	d.	PROPN
ajset-646	483	10	p.	p.	PROPN
ajset-646	483	11	;	;	PUNCT
ajset-646	483	12	araki	araki	PROPN
ajset-646	483	13	,	,	PUNCT
ajset-646	483	14	k.	k.	PROPN
ajset-646	483	15	;	;	PUNCT
ajset-646	483	16	formiga	formiga	PROPN
ajset-646	483	17	,	,	PUNCT
ajset-646	483	18	a.	a.	PROPN
ajset-646	483	19	l.	l.	PROPN
ajset-646	483	20	b.	b.	PROPN
ajset-646	483	21	;	;	PUNCT
ajset-646	483	22	rocha	rocha	PROPN
ajset-646	483	23	,	,	PUNCT
ajset-646	483	24	r.	r.	PROPN
ajset-646	483	25	c.	c.	PROPN
ajset-646	483	26	;	;	PUNCT
ajset-646	483	27	toma	toma	PROPN
ajset-646	483	28	,	,	PUNCT
ajset-646	483	29	h.	h.	PROPN
ajset-646	483	30	e.	e.	PROPN
ajset-646	483	31	european	european	PROPN
ajset-646	483	32	journal	journal	PROPN
ajset-646	483	33	of	of	ADP
ajset-646	483	34	inorganic	inorganic	ADJ
ajset-646	483	35	chemistry	chemistry	NOUN
ajset-646	483	36	2006	2006	NUM
ajset-646	483	37	,	,	PUNCT
ajset-646	483	38	1487	1487	NUM
ajset-646	483	39	-	-	SYM
ajset-646	483	40	1495	1495	NUM
ajset-646	483	41	.	.	PUNCT
ajset-646	484	1	kelly	kelly	PROPN
ajset-646	484	2	,	,	PUNCT
ajset-646	484	3	c.	c.	PROPN
ajset-646	484	4	p.	p.	PROPN
ajset-646	484	5	;	;	PUNCT
ajset-646	484	6	cramer	cramer	PROPN
ajset-646	484	7	,	,	PUNCT
ajset-646	484	8	c.	c.	PROPN
ajset-646	484	9	j.	j.	PROPN
ajset-646	484	10	;	;	PUNCT
ajset-646	484	11	truhlar	truhlar	PROPN
ajset-646	484	12	,	,	PUNCT
ajset-646	484	13	d.	d.	PROPN
ajset-646	484	14	g.	g.	PROPN
ajset-646	484	15	journal	journal	PROPN
ajset-646	484	16	of	of	ADP
ajset-646	484	17	physical	physical	ADJ
ajset-646	484	18	chemistry	chemistry	NOUN
ajset-646	484	19	b	b	PROPN
ajset-646	484	20	2006	2006	NUM
ajset-646	484	21	,	,	PUNCT
ajset-646	484	22	110	110	NUM
ajset-646	484	23	,	,	PUNCT
ajset-646	484	24	16066	16066	NUM
ajset-646	484	25	-	-	SYM
ajset-646	484	26	16081	16081	NUM
ajset-646	484	27	.	.	PUNCT
ajset-646	485	1	cukier	cukier	NOUN
ajset-646	485	2	,	,	PUNCT
ajset-646	485	3	r.	r.	PROPN
ajset-646	485	4	i.	i.	PROPN
ajset-646	485	5	;	;	PUNCT
ajset-646	485	6	nocera	nocera	PROPN
ajset-646	485	7	,	,	PUNCT
ajset-646	485	8	d.	d.	PROPN
ajset-646	485	9	g.	g.	PROPN
ajset-646	485	10	annual	annual	ADJ
ajset-646	485	11	review	review	NOUN
ajset-646	485	12	of	of	ADP
ajset-646	485	13	physical	physical	ADJ
ajset-646	485	14	chemistry	chemistry	NOUN
ajset-646	485	15	1998	1998	NUM
ajset-646	485	16	,	,	PUNCT
ajset-646	485	17	49	49	NUM
ajset-646	485	18	,	,	PUNCT
ajset-646	485	19	337	337	NUM
ajset-646	485	20	-	-	SYM
ajset-646	485	21	369	369	NUM
ajset-646	485	22	.	.	PUNCT
ajset-646	486	1	meyer	meyer	PROPN
ajset-646	486	2	,	,	PUNCT
ajset-646	486	3	t.	t.	PROPN
ajset-646	486	4	j.	j.	PROPN
ajset-646	486	5	;	;	PUNCT
ajset-646	486	6	huynh	huynh	PROPN
ajset-646	486	7	,	,	PUNCT
ajset-646	486	8	m.	m.	PROPN
ajset-646	486	9	h.	h.	PROPN
ajset-646	487	1	v.	v.	PROPN
ajset-646	487	2	;	;	PUNCT
ajset-646	487	3	thorp	thorp	PROPN
ajset-646	487	4	,	,	PUNCT
ajset-646	487	5	h.	h.	PROPN
ajset-646	487	6	h.	h.	PROPN
ajset-646	487	7	angewandte	angewandte	PROPN
ajset-646	487	8	chemie	chemie	PROPN
ajset-646	487	9	-	-	PUNCT
ajset-646	487	10	international	international	ADJ
ajset-646	487	11	edition	edition	NOUN
ajset-646	487	12	2007	2007	NUM
ajset-646	487	13	,	,	PUNCT
ajset-646	487	14	46	46	NUM
ajset-646	487	15	,	,	PUNCT
ajset-646	487	16	5284	5284	NUM
ajset-646	487	17	-	-	SYM
ajset-646	487	18	5304	5304	NUM
ajset-646	487	19	.	.	PUNCT
ajset-646	488	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	PROPN
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ajset-646	488	11	,	,	PUNCT
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ajset-646	488	14	;	;	PUNCT
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ajset-646	488	19	1252	1252	NUM
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ajset-646	488	21	rd	rd	PROPN
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ajset-646	488	30	;	;	PUNCT
ajset-646	488	31	mail	mail	NOUN
ajset-646	488	32	:	:	PUNCT
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ajset-646	488	34	23	23	NUM
ajset-646	489	1	|	|	ADV
ajset-646	489	2	a	a	DET
ajset-646	489	3	c	c	NOUN
ajset-646	489	4	a	a	PRON
ajset-646	489	5	d	d	X
ajset-646	489	6	e	e	NOUN
ajset-646	489	7	m	m	NOUN
ajset-646	489	8	i	i	NOUN
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ajset-646	489	11	o	o	X
ajset-646	489	12	u	u	NOUN
ajset-646	489	13	r	r	NOUN
ajset-646	489	14	n	n	NOUN
ajset-646	489	15	a	a	DET
ajset-646	489	16	l	l	NOUN
ajset-646	490	1	o	o	X
ajset-646	490	2	f	f	X
ajset-646	490	3	s	s	X
ajset-646	490	4	c	c	NOUN
ajset-646	491	1	i	i	NOUN
ajset-646	491	2	e	e	PROPN
ajset-646	491	3	n	n	PROPN
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ajset-646	491	5	e	e	X
ajset-646	491	6	,	,	PUNCT
ajset-646	491	7	e	e	PROPN
ajset-646	491	8	n	n	PRON
ajset-646	491	9	g	g	NOUN
ajset-646	491	10	i	i	PRON
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ajset-646	491	12	e	e	NOUN
ajset-646	491	13	e	e	NOUN
ajset-646	491	14	r	r	VERB
ajset-646	491	15	i	i	PRON
ajset-646	491	16	n	n	CCONJ
ajset-646	491	17	g	g	PROPN
ajset-646	491	18	a	a	DET
ajset-646	491	19	n	n	NOUN
ajset-646	491	20	d	d	NOUN
ajset-646	491	21	t	t	NOUN
ajset-646	491	22	e	e	X
ajset-646	491	23	c	c	NOUN
ajset-646	491	24	h	h	NOUN
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ajset-646	491	26	o	o	NOUN
ajset-646	491	27	l	l	NOUN
ajset-646	492	1	o	o	X
ajset-646	492	2	g	g	NOUN
ajset-646	492	3	y	y	PROPN
ajset-646	492	4	|	|	ADV
ajset-646	492	5	https://topjournals.org/index.php/ajset	https://topjournals.org/index.php/ajset	VERB
ajset-646	492	6	small	small	ADJ
ajset-646	492	7	,	,	PUNCT
ajset-646	492	8	y.	y.	PROPN
ajset-646	492	9	a.	a.	PROPN
ajset-646	492	10	;	;	PUNCT
ajset-646	492	11	dubois	dubois	PROPN
ajset-646	492	12	,	,	PUNCT
ajset-646	492	13	d.	d.	PROPN
ajset-646	492	14	l.	l.	PROPN
ajset-646	492	15	;	;	PUNCT
ajset-646	492	16	fujita	fujita	PROPN
ajset-646	492	17	,	,	PUNCT
ajset-646	492	18	e.	e.	PROPN
ajset-646	492	19	;	;	PUNCT
ajset-646	492	20	muckerman	muckerman	PROPN
ajset-646	492	21	,	,	PUNCT
ajset-646	492	22	j.	j.	PROPN
ajset-646	492	23	t.	t.	PROPN
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ajset-646	492	25	&	&	CCONJ
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ajset-646	492	27	science	science	NOUN
ajset-646	492	28	,	,	PUNCT
ajset-646	492	29	4	4	NUM
ajset-646	492	30	,	,	PUNCT
ajset-646	492	31	3008	3008	NUM
ajset-646	492	32	-	-	SYM
ajset-646	492	33	3020	3020	NUM
ajset-646	492	34	.	.	PUNCT
ajset-646	493	1	qi	qi	PROPN
ajset-646	493	2	,	,	PUNCT
ajset-646	493	3	x.	x.	PROPN
ajset-646	493	4	j.	j.	PROPN
ajset-646	493	5	;	;	PUNCT
ajset-646	493	6	liu	liu	PROPN
ajset-646	493	7	,	,	PUNCT
ajset-646	493	8	l.	l.	PROPN
ajset-646	493	9	;	;	PUNCT
ajset-646	493	10	fu	fu	PROPN
ajset-646	493	11	,	,	PUNCT
ajset-646	493	12	y.	y.	PROPN
ajset-646	493	13	;	;	PUNCT
ajset-646	493	14	guo	guo	PROPN
ajset-646	493	15	,	,	PUNCT
ajset-646	493	16	q.	q.	NOUN
ajset-646	493	17	x.	x.	NOUN
ajset-646	493	18	organometallics	organometallics	PROPN
ajset-646	493	19	2006	2006	NUM
ajset-646	493	20	,	,	PUNCT
ajset-646	493	21	25	25	NUM
ajset-646	493	22	,	,	PUNCT
ajset-646	493	23	5879	5879	NUM
ajset-646	493	24	-	-	SYM
ajset-646	493	25	5886	5886	NUM
ajset-646	493	26	.	.	PUNCT
ajset-646	494	1	schuurmann	schuurmann	PROPN
ajset-646	494	2	,	,	PUNCT
ajset-646	494	3	g.	g.	PROPN
ajset-646	494	4	;	;	PUNCT
ajset-646	494	5	cossi	cossi	PROPN
ajset-646	494	6	,	,	PUNCT
ajset-646	494	7	m.	m.	NOUN
ajset-646	494	8	;	;	PUNCT
ajset-646	494	9	barone	barone	PROPN
ajset-646	494	10	,	,	PUNCT
ajset-646	494	11	v.	v.	PROPN
ajset-646	494	12	;	;	PUNCT
ajset-646	494	13	tomasi	tomasi	PROPN
ajset-646	494	14	,	,	PUNCT
ajset-646	494	15	j.	j.	PROPN
ajset-646	494	16	journal	journal	PROPN
ajset-646	494	17	of	of	ADP
ajset-646	494	18	physical	physical	ADJ
ajset-646	494	19	chemistry	chemistry	NOUN
ajset-646	494	20	a	a	DET
ajset-646	494	21	1998	1998	NUM
ajset-646	494	22	,	,	PUNCT
ajset-646	494	23	102	102	NUM
ajset-646	494	24	,	,	PUNCT
ajset-646	494	25	6706	6706	NUM
ajset-646	494	26	-	-	SYM
ajset-646	494	27	6712	6712	NUM
ajset-646	494	28	.	.	PUNCT
ajset-646	495	1	tissandier	tissandier	NOUN
ajset-646	495	2	,	,	PUNCT
ajset-646	495	3	m.	m.	NOUN
ajset-646	495	4	d.	d.	PROPN
ajset-646	495	5	;	;	PUNCT
ajset-646	495	6	cowen	cowen	PROPN
ajset-646	495	7	,	,	PUNCT
ajset-646	495	8	k.	k.	PROPN
ajset-646	495	9	a.	a.	PROPN
ajset-646	495	10	;	;	PUNCT
ajset-646	495	11	feng	feng	PROPN
ajset-646	495	12	,	,	PUNCT
ajset-646	495	13	w.	w.	PROPN
ajset-646	495	14	y.	y.	PROPN
ajset-646	495	15	;	;	PUNCT
ajset-646	495	16	gundlach	gundlach	PROPN
ajset-646	495	17	,	,	PUNCT
ajset-646	495	18	e.	e.	PROPN
ajset-646	495	19	;	;	PUNCT
ajset-646	495	20	cohen	cohen	PROPN
ajset-646	495	21	,	,	PUNCT
ajset-646	495	22	m.	m.	PROPN
ajset-646	495	23	h.	h.	PROPN
ajset-646	495	24	;	;	PUNCT
ajset-646	495	25	earhart	earhart	PROPN
ajset-646	495	26	,	,	PUNCT
ajset-646	495	27	a.	a.	PROPN
ajset-646	495	28	d.	d.	PROPN
ajset-646	495	29	;	;	PUNCT
ajset-646	495	30	coe	coe	PROPN
ajset-646	495	31	,	,	PUNCT
ajset-646	495	32	j.	j.	PROPN
ajset-646	495	33	v.	v.	PROPN
ajset-646	495	34	;	;	PUNCT
ajset-646	495	35	tuttle	tuttle	PROPN
ajset-646	495	36	,	,	PUNCT
ajset-646	495	37	t.	t.	PROPN
ajset-646	495	38	r.	r.	PROPN
ajset-646	495	39	journal	journal	PROPN
ajset-646	495	40	of	of	ADP
ajset-646	495	41	physical	physical	ADJ
ajset-646	495	42	chemistry	chemistry	NOUN
ajset-646	495	43	a	a	DET
ajset-646	495	44	1998	1998	NUM
ajset-646	495	45	,	,	PUNCT
ajset-646	495	46	102	102	NUM
ajset-646	495	47	,	,	PUNCT
ajset-646	495	48	7787	7787	NUM
ajset-646	495	49	-	-	SYM
ajset-646	495	50	7794	7794	NUM
ajset-646	495	51	.	.	PUNCT
ajset-646	496	1	lewis	lewis	PROPN
ajset-646	496	2	,	,	PUNCT
ajset-646	496	3	a.	a.	NOUN
ajset-646	496	4	;	;	PUNCT
ajset-646	496	5	bumpus	bumpus	PROPN
ajset-646	496	6	,	,	PUNCT
ajset-646	496	7	j.	j.	PROPN
ajset-646	496	8	a.	a.	PROPN
ajset-646	496	9	;	;	PUNCT
ajset-646	496	10	truhlar	truhlar	PROPN
ajset-646	496	11	,	,	PUNCT
ajset-646	496	12	d.	d.	PROPN
ajset-646	496	13	g.	g.	PROPN
ajset-646	496	14	;	;	PUNCT
ajset-646	496	15	cramer	cramer	PROPN
ajset-646	496	16	,	,	PUNCT
ajset-646	496	17	c.	c.	PROPN
ajset-646	496	18	j.	j.	PROPN
ajset-646	496	19	journal	journal	PROPN
ajset-646	496	20	of	of	ADP
ajset-646	496	21	chemical	chemical	PROPN
ajset-646	496	22	education	education	NOUN
ajset-646	496	23	2004	2004	NUM
ajset-646	496	24	,	,	PUNCT
ajset-646	496	25	81	81	NUM
ajset-646	496	26	,	,	PUNCT
ajset-646	496	27	596	596	NUM
ajset-646	496	28	-	-	SYM
ajset-646	496	29	604	604	NUM
ajset-646	496	30	.	.	PUNCT
ajset-646	497	1	short	short	ADJ
ajset-646	497	2	,	,	PUNCT
ajset-646	497	3	g.	g.	PROPN
ajset-646	497	4	d.	d.	PROPN
ajset-646	497	5	;	;	PUNCT
ajset-646	497	6	bishop	bishop	PROPN
ajset-646	497	7	,	,	PUNCT
ajset-646	497	8	e.	e.	PROPN
ajset-646	497	9	analytical	analytical	ADJ
ajset-646	497	10	chemistry	chemistry	NOUN
ajset-646	497	11	1965	1965	NUM
ajset-646	497	12	,	,	PUNCT
ajset-646	497	13	37	37	NUM
ajset-646	497	14	,	,	PUNCT
ajset-646	497	15	962-	962-	NUM
ajset-646	497	16	&	&	CCONJ
ajset-646	497	17	.	.	PUNCT
ajset-646	498	1	tye	tye	PROPN
ajset-646	498	2	,	,	PUNCT
ajset-646	498	3	j.	j.	PROPN
ajset-646	498	4	w.	w.	PROPN
ajset-646	498	5	;	;	PUNCT
ajset-646	498	6	darensbourg	darensbourg	PROPN
ajset-646	498	7	,	,	PUNCT
ajset-646	498	8	m.	m.	NOUN
ajset-646	498	9	y.	y.	PROPN
ajset-646	498	10	;	;	PUNCT
ajset-646	498	11	hall	hall	PROPN
ajset-646	498	12	,	,	PUNCT
ajset-646	498	13	m.	m.	PROPN
ajset-646	498	14	b.	b.	PROPN
ajset-646	498	15	inorganic	inorganic	PROPN
ajset-646	498	16	chemistry	chemistry	NOUN
ajset-646	498	17	2006	2006	NUM
ajset-646	498	18	,	,	PUNCT
ajset-646	498	19	45	45	NUM
ajset-646	498	20	,	,	PUNCT
ajset-646	498	21	1552	1552	NUM
ajset-646	498	22	-	-	SYM
ajset-646	498	23	1559	1559	NUM
ajset-646	498	24	.	.	PUNCT
ajset-646	499	1	o'hagan	o'hagan	PROPN
ajset-646	499	2	,	,	PUNCT
ajset-646	499	3	m.	m.	NOUN
ajset-646	499	4	;	;	PUNCT
ajset-646	499	5	shaw	shaw	PROPN
ajset-646	499	6	,	,	PUNCT
ajset-646	499	7	w.	w.	PROPN
ajset-646	499	8	j.	j.	PROPN
ajset-646	499	9	;	;	PUNCT
ajset-646	499	10	raugei	raugei	NOUN
ajset-646	499	11	,	,	PUNCT
ajset-646	499	12	s.	s.	PROPN
ajset-646	499	13	;	;	PUNCT
ajset-646	499	14	chen	chen	PROPN
ajset-646	499	15	,	,	PUNCT
ajset-646	499	16	s.	s.	PROPN
ajset-646	499	17	;	;	PUNCT
ajset-646	499	18	yang	yang	PROPN
ajset-646	499	19	,	,	PUNCT
ajset-646	499	20	j.	j.	PROPN
ajset-646	499	21	y.	y.	PROPN
ajset-646	499	22	;	;	PUNCT
ajset-646	499	23	kilgore	kilgore	PROPN
ajset-646	499	24	,	,	PUNCT
ajset-646	499	25	u.	u.	PROPN
ajset-646	499	26	j.	j.	PROPN
ajset-646	499	27	;	;	PUNCT
ajset-646	499	28	dubois	dubois	PROPN
ajset-646	499	29	,	,	PUNCT
ajset-646	499	30	d.	d.	PROPN
ajset-646	499	31	l.	l.	PROPN
ajset-646	499	32	;	;	PUNCT
ajset-646	499	33	bullock	bullock	PROPN
ajset-646	499	34	,	,	PUNCT
ajset-646	499	35	r.	r.	PROPN
ajset-646	499	36	m.	m.	PROPN
ajset-646	499	37	journal	journal	PROPN
ajset-646	499	38	of	of	ADP
ajset-646	499	39	the	the	DET
ajset-646	499	40	american	american	PROPN
ajset-646	499	41	chemical	chemical	PROPN
ajset-646	499	42	society	society	NOUN
ajset-646	499	43	,	,	PUNCT
ajset-646	499	44	133	133	NUM
ajset-646	499	45	,	,	PUNCT
ajset-646	499	46	1430114312	1430114312	NUM
ajset-646	499	47	.	.	PUNCT
ajset-646	500	1	evans	evans	PROPN
ajset-646	500	2	,	,	PUNCT
ajset-646	500	3	d.	d.	PROPN
ajset-646	500	4	j.	j.	PROPN
ajset-646	500	5	;	;	PUNCT
ajset-646	500	6	pickett	pickett	PROPN
ajset-646	500	7	,	,	PUNCT
ajset-646	500	8	c.	c.	PROPN
ajset-646	500	9	j.	j.	PROPN
ajset-646	500	10	chemical	chemical	PROPN
ajset-646	500	11	society	society	PROPN
ajset-646	500	12	reviews	review	VERB
ajset-646	500	13	2003	2003	NUM
ajset-646	500	14	,	,	PUNCT
ajset-646	500	15	32	32	NUM
ajset-646	500	16	,	,	PUNCT
ajset-646	500	17	268	268	NUM
ajset-646	500	18	-	-	SYM
ajset-646	500	19	275	275	NUM
ajset-646	500	20	.	.	PUNCT
ajset-646	501	1	chen	chen	PROPN
ajset-646	501	2	,	,	PUNCT
ajset-646	501	3	s.	s.	PROPN
ajset-646	501	4	;	;	PUNCT
ajset-646	501	5	raugei	raugei	NOUN
ajset-646	501	6	,	,	PUNCT
ajset-646	501	7	s.	s.	PROPN
ajset-646	501	8	;	;	PUNCT
ajset-646	501	9	rousseau	rousseau	PROPN
ajset-646	501	10	,	,	PUNCT
ajset-646	501	11	r.	r.	PROPN
ajset-646	501	12	;	;	PUNCT
ajset-646	501	13	dupuis	dupuis	NOUN
ajset-646	501	14	,	,	PUNCT
ajset-646	501	15	m.	m.	NOUN
ajset-646	501	16	;	;	PUNCT
ajset-646	501	17	bullock	bullock	NOUN
ajset-646	501	18	,	,	PUNCT
ajset-646	501	19	r.	r.	PROPN
ajset-646	501	20	m.	m.	PROPN
ajset-646	501	21	journal	journal	PROPN
ajset-646	501	22	of	of	ADP
ajset-646	501	23	physical	physical	ADJ
ajset-646	501	24	chemistry	chemistry	NOUN
ajset-646	501	25	a	a	DET
ajset-646	501	26	2011	2011	NUM
ajset-646	501	27	,	,	PUNCT
ajset-646	501	28	114	114	NUM
ajset-646	501	29	,	,	PUNCT
ajset-646	501	30	12716	12716	NUM
ajset-646	501	31	-	-	SYM
ajset-646	501	32	12724	12724	NUM
ajset-646	501	33	.	.	PUNCT
ajset-646	502	1	kanan	kanan	PROPN
ajset-646	502	2	,	,	PUNCT
ajset-646	502	3	m.	m.	PROPN
ajset-646	502	4	w.	w.	PROPN
ajset-646	502	5	;	;	PUNCT
ajset-646	502	6	surendranath	surendranath	NOUN
ajset-646	502	7	,	,	PUNCT
ajset-646	502	8	y.	y.	PROPN
ajset-646	502	9	;	;	PUNCT
ajset-646	502	10	nocera	nocera	PROPN
ajset-646	502	11	,	,	PUNCT
ajset-646	502	12	d.	d.	PROPN
ajset-646	502	13	g.	g.	PROPN
ajset-646	502	14	chemical	chemical	PROPN
ajset-646	502	15	society	society	PROPN
ajset-646	502	16	reviews	review	NOUN
ajset-646	502	17	2009	2009	NUM
ajset-646	502	18	,	,	PUNCT
ajset-646	502	19	38	38	NUM
ajset-646	502	20	,	,	PUNCT
ajset-646	502	21	109	109	NUM
ajset-646	502	22	-	-	SYM
ajset-646	502	23	114	114	NUM
ajset-646	502	24	.	.	PUNCT
ajset-646	503	1	mailto:topacademicjournals@gmail.com	mailto:topacademicjournals@gmail.com	X