id	sid	eid	entity	type
eurjchem-2143	1	1	al-cnt	PERSON
eurjchem-2143	1	2	european journal of chemistry 12 (	ORG
eurjchem-2143	1	3	3	CARDINAL
eurjchem-2143	1	4	2021	CARDINAL
eurjchem-2143	1	5	314	CARDINAL
eurjchem-2143	1	6	322	CARDINAL
eurjchem-2143	1	7	european	NORP
eurjchem-2143	1	8	2153-2249	CARDINAL
eurjchem-2143	1	9	2153-2257	CARDINAL
eurjchem-2143	2	1	2021	CARDINAL
eurjchem-2143	2	2	atlanta	GPE
eurjchem-2143	2	3	llc	GPE
eurjchem-2143	3	1	atlanta publishing house	ORG
eurjchem-2143	3	2	nc	GPE
eurjchem-2143	4	1	https://dx.doi.org/10.5155/eurjchem.12.3.314-322.2143 european journal of chemistry view journal	ORG
eurjchem-2143	4	2	al-cnt	PERSON
eurjchem-2143	4	3	zaid husham al-sawaff 1,2	PERSON
eurjchem-2143	4	4	serap senturk	ORG
eurjchem-2143	4	5	3	CARDINAL
eurjchem-2143	4	6	fatma kandemirli	PERSON
eurjchem-2143	4	7	kastamonu university	PERSON
eurjchem-2143	4	8	37150	DATE
eurjchem-2143	4	9	kastamonu	GPE
eurjchem-2143	4	10	2	CARDINAL
eurjchem-2143	4	11	northern technical university	ORG
eurjchem-2143	4	12	41002	DATE
eurjchem-2143	4	13	mosul	GPE
eurjchem-2143	4	14	iraq	GPE
eurjchem-2143	5	1	3	CARDINAL
eurjchem-2143	5	2	22030	DATE
eurjchem-2143	5	3	edirne	GPE
eurjchem-2143	5	4	turkey	GPE
eurjchem-2143	6	1	4	CARDINAL
eurjchem-2143	6	2	kastamonu university	PERSON
eurjchem-2143	6	3	37150	DATE
eurjchem-2143	6	4	kastamonu	GPE
eurjchem-2143	6	5	turkey	GPE
eurjchem-2143	7	1	northern technical university	ORG
eurjchem-2143	7	2	41002	DATE
eurjchem-2143	7	3	mosul	GPE
eurjchem-2143	7	4	iraq	GPE
eurjchem-2143	8	1	al-sawaff	ORG
eurjchem-2143	9	1	322.2143	CARDINAL
eurjchem-2143	9	2	08	CARDINAL
eurjchem-2143	9	3	31 july 2021	DATE
eurjchem-2143	9	4	07	CARDINAL
eurjchem-2143	9	5	30	CARDINAL
eurjchem-2143	9	6	30	CARDINAL
eurjchem-2143	10	1	al-cnt	PERSON
eurjchem-2143	10	2	bmsf-benz/al-cnt	ORG
eurjchem-2143	11	1	gibbs free	PERSON
eurjchem-2143	13	1	al-cnt	PERSON
eurjchem-2143	13	2	4,0	CARDINAL
eurjchem-2143	14	1	bmsf-benz drug adsorption	ORG
eurjchem-2143	14	2	al-cnt	PERSON
eurjchem-2143	15	1	j. chem	PERSON
eurjchem-2143	16	1	2021	CARDINAL
eurjchem-2143	16	2	314	CARDINAL
eurjchem-2143	16	3	1	CARDINAL
eurjchem-2143	17	1	1	CARDINAL
eurjchem-2143	20	1	2	CARDINAL
eurjchem-2143	22	1	one	CARDINAL
eurjchem-2143	22	2	4	CARDINAL
eurjchem-2143	22	3	1	CARDINAL
eurjchem-2143	23	1	3	CARDINAL
eurjchem-2143	24	1	4	CARDINAL
eurjchem-2143	26	1	9-11	CARDINAL
eurjchem-2143	28	1	two	CARDINAL
eurjchem-2143	28	2	ac	ORG
eurjchem-2143	29	1	12	CARDINAL
eurjchem-2143	30	1	rakib hossain et al	PERSON
eurjchem-2143	30	2	three	CARDINAL
eurjchem-2143	30	3	mailto:zaidalsawaff@ntu.edu.iq	GPE
eurjchem-2143	30	4	mailto:fkandemirli@yahoo.com mailto:zaidalsawaff@ntu.edu.iq	ORG
eurjchem-2143	30	5	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.3.314-322.2143&domain=pdf&date_stamp=2021-09-30 al-sawaff	PERSON
eurjchem-2143	30	6	12	CARDINAL
eurjchem-2143	30	7	3	CARDINAL
eurjchem-2143	30	8	2021	CARDINAL
eurjchem-2143	30	9	314	CARDINAL
eurjchem-2143	30	10	european journal of chemistry	ORG
eurjchem-2143	30	11	nc	GPE
eurjchem-2143	30	12	10.5155	CARDINAL
eurjchem-2143	30	13	322.2143	CARDINAL
eurjchem-2143	31	1	b12c6n6	ORG
eurjchem-2143	31	2	dft	ORG
eurjchem-2143	32	1	15	CARDINAL
eurjchem-2143	33	1	2020	DATE
eurjchem-2143	33	2	dft	ORG
eurjchem-2143	35	1	16	CARDINAL
eurjchem-2143	36	1	rakib hossain et al	PERSON
eurjchem-2143	36	2	dft	ORG
eurjchem-2143	36	3	bc	ORG
eurjchem-2143	36	4	bc	ORG
eurjchem-2143	38	1	17	CARDINAL
eurjchem-2143	39	1	2001	DATE
eurjchem-2143	39	2	qiao	PERSON
eurjchem-2143	39	3	eight	CARDINAL
eurjchem-2143	39	4	di-ethylamine	PERSON
eurjchem-2143	40	1	18	CARDINAL
eurjchem-2143	41	1	519	CARDINAL
eurjchem-2143	45	1	19	CARDINAL
eurjchem-2143	46	1	saleh	PERSON
eurjchem-2143	46	2	al	ORG
eurjchem-2143	46	3	5,5	CARDINAL
eurjchem-2143	49	1	5,5	CARDINAL
eurjchem-2143	49	2	5,5	CARDINAL
eurjchem-2143	49	3	20	CARDINAL
eurjchem-2143	50	1	bagheri novir et	PERSON
eurjchem-2143	51	1	covid-19	PRODUCT
eurjchem-2143	51	2	5,5	CARDINAL
eurjchem-2143	52	1	21	CARDINAL
eurjchem-2143	54	1	22	CARDINAL
eurjchem-2143	56	1	27	CARDINAL
eurjchem-2143	57	1	al-cnt	PERSON
eurjchem-2143	57	2	4,0	CARDINAL
eurjchem-2143	57	3	al-cnt	PERSON
eurjchem-2143	57	4	6,0	CARDINAL
eurjchem-2143	60	1	2	CARDINAL
eurjchem-2143	60	2	dft	ORG
eurjchem-2143	60	3	6-31g(d	CARDINAL
eurjchem-2143	60	4	09	CARDINAL
eurjchem-2143	60	5	28	CARDINAL
eurjchem-2143	61	1	al-cnt	PERSON
eurjchem-2143	64	1	1	CARDINAL
eurjchem-2143	65	1	29	CARDINAL
eurjchem-2143	66	1	2	CARDINAL
eurjchem-2143	66	2	1	CARDINAL
eurjchem-2143	66	3	2	CARDINAL
eurjchem-2143	69	1	30	CARDINAL
eurjchem-2143	71	1	2	CARDINAL
eurjchem-2143	71	2	2	CARDINAL
eurjchem-2143	72	1	3	CARDINAL
eurjchem-2143	73	1	31,32	CARDINAL
eurjchem-2143	74	1	3	CARDINAL
eurjchem-2143	76	1	33	CARDINAL
eurjchem-2143	77	1	4	CARDINAL
eurjchem-2143	77	2	5	CARDINAL
eurjchem-2143	78	1	gibbs free energy (δg	ORG
eurjchem-2143	78	2	30	CARDINAL
eurjchem-2143	78	3	6-8)	CARDINAL
eurjchem-2143	78	4	34	CARDINAL
eurjchem-2143	82	1	316	CARDINAL
eurjchem-2143	82	2	al-sawaff	LOC
eurjchem-2143	82	3	12	CARDINAL
eurjchem-2143	82	4	3	CARDINAL
eurjchem-2143	82	5	2021	CARDINAL
eurjchem-2143	82	6	314	CARDINAL
eurjchem-2143	82	7	european journal of chemistry	ORG
eurjchem-2143	82	8	nc	GPE
eurjchem-2143	82	9	10.5155	CARDINAL
eurjchem-2143	82	10	benz al-cnt	PERSON
eurjchem-2143	82	11	1	CARDINAL
eurjchem-2143	82	12	al-cnt	PERSON
eurjchem-2143	82	13	gcomplex	ORG
eurjchem-2143	82	14	the gibbs free energy	ORG
eurjchem-2143	83	1	298.15	CARDINAL
eurjchem-2143	83	2	k. quantum	PERSON
eurjchem-2143	83	3	bader	ORG
eurjchem-2143	83	4	35	CARDINAL
eurjchem-2143	83	5	multiwfn	ORG
eurjchem-2143	83	6	36	CARDINAL
eurjchem-2143	83	7	al-cnt	PERSON
eurjchem-2143	84	1	multiwfn 3.7	ORG
eurjchem-2143	84	2	37	CARDINAL
eurjchem-2143	85	1	al-cnt	PERSON
eurjchem-2143	86	1	3	CARDINAL
eurjchem-2143	86	2	3.1	CARDINAL
eurjchem-2143	87	1	bmsfbenz molecule	ORG
eurjchem-2143	87	2	dft	ORG
eurjchem-2143	88	1	al-cnt	PERSON
eurjchem-2143	88	2	1	CARDINAL
eurjchem-2143	90	1	9.49	CARDINAL
eurjchem-2143	90	2	9.58	CARDINAL
eurjchem-2143	90	3	9.53	CARDINAL
eurjchem-2143	90	4	4.65	DATE
eurjchem-2143	90	5	5.03	CARDINAL
eurjchem-2143	90	6	2.87	CARDINAL
eurjchem-2143	90	7	7.97	CARDINAL
eurjchem-2143	90	8	3248.12	CARDINAL
eurjchem-2143	90	9	3248.10	CARDINAL
eurjchem-2143	90	10	3244.93	CARDINAL
eurjchem-2143	90	11	3243.82	CARDINAL
eurjchem-2143	90	12	3245.85	CARDINAL
eurjchem-2143	90	13	3222.02	CARDINAL
eurjchem-2143	90	14	3224.24	CARDINAL
eurjchem-2143	90	15	al-cnt	PERSON
eurjchem-2143	92	1	one	CARDINAL
eurjchem-2143	93	1	al-cnt	GPE
eurjchem-2143	93	2	1.76	CARDINAL
eurjchem-2143	93	3	1.73	CARDINAL
eurjchem-2143	93	4	1.75	CARDINAL
eurjchem-2143	93	5	1.52	CARDINAL
eurjchem-2143	93	6	1.76	CARDINAL
eurjchem-2143	93	7	1.75	CARDINAL
eurjchem-2143	93	8	1.74	CARDINAL
eurjchem-2143	94	1	3.2	CARDINAL
eurjchem-2143	94	2	bmsf-benz	PERSON
eurjchem-2143	94	3	al-cnt	PERSON
eurjchem-2143	94	4	bmsf-benz	ORG
eurjchem-2143	95	1	bmsf-benz/al-cnt	ORG
eurjchem-2143	96	1	al-cnt	PERSON
eurjchem-2143	98	1	al-cnt	PERSON
eurjchem-2143	99	1	bmsf-benz drug molecule	ORG
eurjchem-2143	99	2	38.68	CARDINAL
eurjchem-2143	99	3	about 2.54	CARDINAL
eurjchem-2143	99	4	2.01	CARDINAL
eurjchem-2143	99	5	2.17	CARDINAL
eurjchem-2143	99	6	2.03	CARDINAL
eurjchem-2143	99	7	1.95	CARDINAL
eurjchem-2143	99	8	1.96	CARDINAL
eurjchem-2143	99	9	2.48	CARDINAL
eurjchem-2143	99	10	1	CARDINAL
eurjchem-2143	100	1	al-cnt	PERSON
eurjchem-2143	100	2	3×1016	CARDINAL
eurjchem-2143	100	3	1	CARDINAL
eurjchem-2143	101	1	al-cnts	ORG
eurjchem-2143	101	2	bader	ORG
eurjchem-2143	101	3	multiwfn	ORG
eurjchem-2143	101	4	36	CARDINAL
eurjchem-2143	102	1	al-cnt	PERSON
eurjchem-2143	102	2	1	CARDINAL
eurjchem-2143	103	1	al-cnt	PERSON
eurjchem-2143	103	2	bcps	PERSON
eurjchem-2143	103	3	2	CARDINAL
eurjchem-2143	104	1	al-cnt	PERSON
eurjchem-2143	104	2	3	CARDINAL
eurjchem-2143	105	1	ρ(r	GPE
eurjchem-2143	107	1	van der waals interactions	PERSON
eurjchem-2143	107	2	0	CARDINAL
eurjchem-2143	107	3	h(r	PERSON
eurjchem-2143	107	4	0	CARDINAL
eurjchem-2143	108	1	1	CARDINAL
eurjchem-2143	109	1	0	CARDINAL
eurjchem-2143	109	2	h(r	PERSON
eurjchem-2143	109	3	1	CARDINAL
eurjchem-2143	109	4	2	CARDINAL
eurjchem-2143	110	1	h(r	PERSON
eurjchem-2143	111	1	2	CARDINAL
eurjchem-2143	112	1	2	CARDINAL
eurjchem-2143	112	2	al-cnt	PERSON
eurjchem-2143	112	3	2	CARDINAL
eurjchem-2143	113	1	2	CARDINAL
eurjchem-2143	113	2	2	CARDINAL
eurjchem-2143	113	3	four	CARDINAL
eurjchem-2143	113	4	al-cnt	PERSON
eurjchem-2143	114	1	al26	PRODUCT
eurjchem-2143	114	2	0	CARDINAL
eurjchem-2143	114	3	h(r	PERSON
eurjchem-2143	114	4	2	CARDINAL
eurjchem-2143	115	1	three	CARDINAL
eurjchem-2143	116	1	al-sawaff et al	ORG
eurjchem-2143	116	2	12	CARDINAL
eurjchem-2143	116	3	3	CARDINAL
eurjchem-2143	116	4	2021	CARDINAL
eurjchem-2143	116	5	314	CARDINAL
eurjchem-2143	116	6	european journal of chemistry	ORG
eurjchem-2143	116	7	nc	GPE
eurjchem-2143	116	8	10.5155	CARDINAL
eurjchem-2143	116	9	322.2143	CARDINAL
eurjchem-2143	116	10	1	CARDINAL
eurjchem-2143	117	1	eads	PERSON
eurjchem-2143	117	2	bmsf-benz drug	ORG
eurjchem-2143	117	3	al-cnt	PERSON
eurjchem-2143	117	4	sec	ORG
eurjchem-2143	119	1	sec	ORG
eurjchem-2143	119	2	bmsf-benz al-cnt	PERSON
eurjchem-2143	119	3	al-cnt	PERSON
eurjchem-2143	119	4	al-c1	PERSON
eurjchem-2143	119	5	1.92	CARDINAL
eurjchem-2143	119	6	1.94	CARDINAL
eurjchem-2143	119	7	al-c3	ORG
eurjchem-2143	119	8	1.94	CARDINAL
eurjchem-2143	119	9	1.94	CARDINAL
eurjchem-2143	119	10	1.77×1012	CARDINAL
eurjchem-2143	119	11	1.97	CARDINAL
eurjchem-2143	119	12	al-c3	ORG
eurjchem-2143	119	13	1.98	CARDINAL
eurjchem-2143	119	14	al-c1	PERSON
eurjchem-2143	119	15	1.92	CARDINAL
eurjchem-2143	119	16	9.92×10-8	TIME
eurjchem-2143	119	17	1.95	CARDINAL
eurjchem-2143	119	18	al-c3	ORG
eurjchem-2143	119	19	1.96	CARDINAL
eurjchem-2143	119	20	2.03	CARDINAL
eurjchem-2143	119	21	al-c1	PERSON
eurjchem-2143	119	22	6.71×106	CARDINAL
eurjchem-2143	119	23	1.97	CARDINAL
eurjchem-2143	119	24	al-c3 1.96	ORG
eurjchem-2143	119	25	1.95	CARDINAL
eurjchem-2143	119	26	al-c1	PERSON
eurjchem-2143	119	27	1.93	CARDINAL
eurjchem-2143	119	28	1.75×104	CARDINAL
eurjchem-2143	119	29	1.95	CARDINAL
eurjchem-2143	119	30	al-c3	ORG
eurjchem-2143	119	31	1.95	CARDINAL
eurjchem-2143	119	32	al-cnt	PERSON
eurjchem-2143	119	33	1.96	CARDINAL
eurjchem-2143	119	34	al-c1	PERSON
eurjchem-2143	119	35	6.94×101	CARDINAL
eurjchem-2143	119	36	1.95	CARDINAL
eurjchem-2143	119	37	al-c3	ORG
eurjchem-2143	119	38	1.95	CARDINAL
eurjchem-2143	119	39	2.48	CARDINAL
eurjchem-2143	119	40	1.93 -0.2971	CARDINAL
eurjchem-2143	119	41	3.05×10-1 al-c2	QUANTITY
eurjchem-2143	119	42	1.96	CARDINAL
eurjchem-2143	119	43	al-c3 1.95	ORG
eurjchem-2143	119	44	2	CARDINAL
eurjchem-2143	120	1	al-cnt	PERSON
eurjchem-2143	121	1	al-cnt	PERSON
eurjchem-2143	121	2	al-cnt	PERSON
eurjchem-2143	123	1	3 1.0057880	CARDINAL
eurjchem-2143	123	2	0.0081556 0.0245705 0.0049469 -0.0037512	MONEY
eurjchem-2143	123	3	0.8760×10	CARDINAL
eurjchem-2143	123	4	2	CARDINAL
eurjchem-2143	128	1	bmsf-benz /al-cnt	ORG
eurjchem-2143	128	2	1-4	CARDINAL
eurjchem-2143	128	3	3	CARDINAL
eurjchem-2143	130	1	bmsf-benz drug	ORG
eurjchem-2143	130	2	3	CARDINAL
eurjchem-2143	133	1	318	CARDINAL
eurjchem-2143	133	2	al-sawaff et	ORG
eurjchem-2143	133	3	12	CARDINAL
eurjchem-2143	133	4	3	CARDINAL
eurjchem-2143	133	5	2021	CARDINAL
eurjchem-2143	133	6	314	CARDINAL
eurjchem-2143	133	7	european journal of chemistry	ORG
eurjchem-2143	133	8	nc	GPE
eurjchem-2143	133	9	10.5155	CARDINAL
eurjchem-2143	133	10	322.2143	CARDINAL
eurjchem-2143	133	11	3	CARDINAL
eurjchem-2143	134	1	ev	ORG
eurjchem-2143	134	2	4.52 -3.14 3.14	QUANTITY
eurjchem-2143	134	3	al-cnt	PERSON
eurjchem-2143	134	4	1.74	CARDINAL
eurjchem-2143	134	5	3.76	CARDINAL
eurjchem-2143	134	6	al-cnt	PERSON
eurjchem-2143	134	7	1.76 1.29	CARDINAL
eurjchem-2143	134	8	al-cnt	PERSON
eurjchem-2143	134	9	1.73 -0.14	QUANTITY
eurjchem-2143	134	10	al-cnt	PERSON
eurjchem-2143	134	11	0.96	MONEY
eurjchem-2143	134	12	3.20 17.38	CARDINAL
eurjchem-2143	134	13	al-cnt	PERSON
eurjchem-2143	134	14	1.52	CARDINAL
eurjchem-2143	134	15	3.21 0.41	CARDINAL
eurjchem-2143	134	16	1.76 1.29	QUANTITY
eurjchem-2143	134	17	3.35 4.31	CARDINAL
eurjchem-2143	134	18	al-cnt	PERSON
eurjchem-2143	134	19	1.75 0.95	CARDINAL
eurjchem-2143	134	20	3.19	CARDINAL
eurjchem-2143	134	21	-3.07	ORG
eurjchem-2143	134	22	3.07	CARDINAL
eurjchem-2143	134	23	3	CARDINAL
eurjchem-2143	134	24	bmsf-benz drug	ORG
eurjchem-2143	134	25	al-cnt	PERSON
eurjchem-2143	136	1	100𝑥𝑥(∆𝐸𝐸𝑑𝑑2	CARDINAL
eurjchem-2143	136	2	9	CARDINAL
eurjchem-2143	137	1	3	CARDINAL
eurjchem-2143	138	1	3	CARDINAL
eurjchem-2143	138	2	4	CARDINAL
eurjchem-2143	139	1	3	CARDINAL
eurjchem-2143	139	2	3	CARDINAL
eurjchem-2143	139	3	al-cnt	PERSON
eurjchem-2143	140	1	al-cnt	PERSON
eurjchem-2143	141	1	about 1.29	CARDINAL
eurjchem-2143	141	2	0.96	CARDINAL
eurjchem-2143	141	3	1,29	DATE
eurjchem-2143	141	4	0.95	CARDINAL
eurjchem-2143	141	5	0.17%	PERCENT
eurjchem-2143	144	1	∆eg	PERSON
eurjchem-2143	144	2	al-cnt	PERSON
eurjchem-2143	145	1	17.38%	PERCENT
eurjchem-2143	146	1	9.92×10-8	DATE
eurjchem-2143	146	2	sec	ORG
eurjchem-2143	146	3	1	CARDINAL
eurjchem-2143	147	1	9.47%	PERCENT
eurjchem-2143	148	1	sec	ORG
eurjchem-2143	149	1	about 4.31%	PERCENT
eurjchem-2143	150	1	17500sec	CARDINAL
eurjchem-2143	151	1	al-cnt	PERSON
eurjchem-2143	151	2	s/al-cnt	PRODUCT
eurjchem-2143	151	3	4.59	CARDINAL
eurjchem-2143	151	4	3.87%	PERCENT
eurjchem-2143	152	1	0.694	CARDINAL
eurjchem-2143	152	2	sec	ORG
eurjchem-2143	152	3	0.305 sec	PERCENT
eurjchem-2143	152	4	al-cnt	PERSON
eurjchem-2143	153	1	6	CARDINAL
eurjchem-2143	153	2	3	CARDINAL
eurjchem-2143	154	1	6	CARDINAL
eurjchem-2143	154	2	multiwfn	ORG
eurjchem-2143	154	3	37	CARDINAL
eurjchem-2143	155	1	6	CARDINAL
eurjchem-2143	155	2	al-cnt	PERSON
eurjchem-2143	158	1	10	CARDINAL
eurjchem-2143	159	1	38	CARDINAL
eurjchem-2143	161	1	1	CARDINAL
eurjchem-2143	161	2	𝐸𝐸𝑥𝑥𝐸𝐸(−𝐸𝐸𝐴𝐴𝐴𝐴𝐴𝐴 𝐾𝐾𝑇𝑇	PERSON
eurjchem-2143	161	3	10	CARDINAL
eurjchem-2143	162	1	k	PERSON
eurjchem-2143	162	2	3 kcal	QUANTITY
eurjchem-2143	163	1	1	CARDINAL
eurjchem-2143	163	2	3×1016	CARDINAL
eurjchem-2143	164	1	more than 1	CARDINAL
eurjchem-2143	164	2	23.061 kcal/mol	QUANTITY
eurjchem-2143	164	3	ita	ORG
eurjchem-2143	164	4	homo-3 homo-4 al-sawaff	PERSON
eurjchem-2143	164	5	12	CARDINAL
eurjchem-2143	164	6	3	CARDINAL
eurjchem-2143	164	7	2021	CARDINAL
eurjchem-2143	164	8	314	CARDINAL
eurjchem-2143	164	9	european journal of chemistry	ORG
eurjchem-2143	164	10	nc	GPE
eurjchem-2143	164	11	10.5155	CARDINAL
eurjchem-2143	164	12	322.2143	CARDINAL
eurjchem-2143	164	13	al-cnt	PERSON
eurjchem-2143	164	14	al-cnt	PERSON
eurjchem-2143	164	15	al-cnt	PERSON
eurjchem-2143	164	16	4	CARDINAL
eurjchem-2143	165	1	al-cnt	PERSON
eurjchem-2143	165	2	al-cnt	PERSON
eurjchem-2143	166	1	0.02	CARDINAL
eurjchem-2143	170	1	39	CARDINAL
eurjchem-2143	171	1	320	CARDINAL
eurjchem-2143	171	2	al-sawaff et	ORG
eurjchem-2143	171	3	12	CARDINAL
eurjchem-2143	171	4	3	CARDINAL
eurjchem-2143	171	5	2021	CARDINAL
eurjchem-2143	171	6	314	CARDINAL
eurjchem-2143	171	7	european journal of chemistry	ORG
eurjchem-2143	171	8	nc	GPE
eurjchem-2143	171	9	10.5155	CARDINAL
eurjchem-2143	171	10	322.2143	CARDINAL
eurjchem-2143	171	11	al-cnt	PERSON
eurjchem-2143	171	12	5	CARDINAL
eurjchem-2143	172	1	al-cnt	PERSON
eurjchem-2143	172	2	s/al-cnt	PRODUCT
eurjchem-2143	173	1	0.02	CARDINAL
eurjchem-2143	173	2	bohr3	PRODUCT
eurjchem-2143	173	3	6	CARDINAL
eurjchem-2143	173	4	tdos	ORG
eurjchem-2143	175	1	s/al-cnt	PRODUCT
eurjchem-2143	175	2	ev than 1	CARDINAL
eurjchem-2143	176	1	1	CARDINAL
eurjchem-2143	176	2	3	CARDINAL
eurjchem-2143	176	3	bmsf-benz drug molecule	ORG
eurjchem-2143	177	1	al-cnt	PERSON
eurjchem-2143	178	1	al-cnt	PERSON
eurjchem-2143	179	1	al-cnt	PERSON
eurjchem-2143	179	2	1.77×1012	CARDINAL
eurjchem-2143	179	3	6.71×106	DATE
eurjchem-2143	179	4	sec	ORG
eurjchem-2143	180	1	12 days	DATE
eurjchem-2143	182	1	bmsf-benz	ORG
eurjchem-2143	182	2	al-cnt	PERSON
eurjchem-2143	182	3	0.2804	CARDINAL
eurjchem-2143	182	4	0.3382	CARDINAL
eurjchem-2143	182	5	0.1734	CARDINAL
eurjchem-2143	182	6	0.2537	CARDINAL
eurjchem-2143	182	7	0.2113	GPE
eurjchem-2143	182	8	0.1999	ORG
eurjchem-2143	182	9	0.2971	ORG
eurjchem-2143	183	1	gibbs free energy (δg	ORG
eurjchem-2143	183	2	6-8)	CARDINAL
eurjchem-2143	183	3	4	CARDINAL
eurjchem-2143	184	1	al-sawaff et	PERSON
eurjchem-2143	184	2	12	CARDINAL
eurjchem-2143	184	3	3	CARDINAL
eurjchem-2143	184	4	2021	CARDINAL
eurjchem-2143	184	5	314	CARDINAL
eurjchem-2143	184	6	european journal of chemistry	ORG
eurjchem-2143	184	7	nc	GPE
eurjchem-2143	184	8	10.5155	CARDINAL
eurjchem-2143	184	9	4	CARDINAL
eurjchem-2143	185	1	gibbs free energy (	ORG
eurjchem-2143	186	1	∆g ∆h ∆s vmin vmax 1 br/al-cnt -11.00 -22.71	PERSON
eurjchem-2143	186	2	3 n9	QUANTITY
eurjchem-2143	186	3	al-cnt	PERSON
eurjchem-2143	186	4	9.53	MONEY
eurjchem-2143	186	5	al-cnt -29.65 -41.78	PERSON
eurjchem-2143	186	6	5	CARDINAL
eurjchem-2143	186	7	6	CARDINAL
eurjchem-2143	186	8	al-cnt -17.66 -30.02 -0.04	PERSON
eurjchem-2143	187	1	40	CARDINAL
eurjchem-2143	190	1	4	CARDINAL
eurjchem-2143	190	2	al-cnt	GPE
eurjchem-2143	190	3	dft	ORG
eurjchem-2143	192	1	bmsf-benz	ORG
eurjchem-2143	193	1	the bmsfbenz drug	ORG
eurjchem-2143	194	1	al-cnt	PERSON
eurjchem-2143	194	2	s/al-cnt	PRODUCT
eurjchem-2143	196	1	bmsf-benz drug molecules	ORG
eurjchem-2143	197	1	al-cnt	PERSON
eurjchem-2143	197	2	al26	PRODUCT
eurjchem-2143	197	3	0	CARDINAL
eurjchem-2143	197	4	h(r	PERSON
eurjchem-2143	197	5	1	CARDINAL
eurjchem-2143	197	6	2	CARDINAL
eurjchem-2143	197	7	al-cnt	PERSON
eurjchem-2143	204	1	zaid husham al-sawaff	PERSON
eurjchem-2143	204	2	https://orcid.org/0000-0001-8789-4905 serap senturk	ORG
eurjchem-2143	204	3	dalgic https://orcid.org/0000-0003-2541-9214 fatma kandemirli https://orcid.org/0000-0001-6097-2184	PRODUCT
eurjchem-2143	204	4	1	CARDINAL
eurjchem-2143	205	1	j. a.	PERSON
eurjchem-2143	205	2	cooper	PERSON
eurjchem-2143	205	3	r.	NORP
eurjchem-2143	208	1	2020	DATE
eurjchem-2143	208	2	31	DATE
eurjchem-2143	208	3	1	CARDINAL
eurjchem-2143	208	4	209	CARDINAL
eurjchem-2143	209	1	2	CARDINAL
eurjchem-2143	209	2	c. nat.	PERSON
eurjchem-2143	210	1	clin	PERSON
eurjchem-2143	211	1	pract	GPE
eurjchem-2143	212	1	rheumatol	PERSON
eurjchem-2143	213	1	2009	DATE
eurjchem-2143	213	2	5	CARDINAL
eurjchem-2143	213	3	1	CARDINAL
eurjchem-2143	213	4	20–27	CARDINAL
eurjchem-2143	214	1	3	CARDINAL
eurjchem-2143	215	1	shimizu	PERSON
eurjchem-2143	215	2	m.; noda	PERSON
eurjchem-2143	215	3	joyashiki	ORG
eurjchem-2143	215	4	nakagawa	ORG
eurjchem-2143	215	5	k.	PERSON
eurjchem-2143	215	6	hayasaka, a.	PERSON
eurjchem-2143	215	7	kato	GPE
eurjchem-2143	215	8	m.; nanami	PERSON
eurjchem-2143	215	9	m.; miyaura	PERSON
eurjchem-2143	215	10	c.; tamura	PERSON
eurjchem-2143	215	11	t. biol	ORG
eurjchem-2143	216	1	pharm	ORG
eurjchem-2143	217	1	bull	ORG
eurjchem-2143	218	1	2016	DATE
eurjchem-2143	218	2	39	DATE
eurjchem-2143	218	3	4	CARDINAL
eurjchem-2143	218	4	625–630	CARDINAL
eurjchem-2143	219	1	4	CARDINAL
eurjchem-2143	220	1	s.	PERSON
eurjchem-2143	220	2	j.; camon	PERSON
eurjchem-2143	220	3	h. microsyst	PERSON
eurjchem-2143	221	1	technol	ORG
eurjchem-2143	221	2	2008	DATE
eurjchem-2143	221	3	14	DATE
eurjchem-2143	221	4	747–751	DATE
eurjchem-2143	222	1	5	CARDINAL
eurjchem-2143	222	2	m.; zhang	PERSON
eurjchem-2143	222	3	q.	PERSON
eurjchem-2143	222	4	lamon	PERSON
eurjchem-2143	222	5	s. nat.	PERSON
eurjchem-2143	223	1	rev	PERSON
eurjchem-2143	224	1	2016	DATE
eurjchem-2143	224	2	1	CARDINAL
eurjchem-2143	224	3	12	CARDINAL
eurjchem-2143	224	4	1–14	CARDINAL
eurjchem-2143	226	1	6	CARDINAL
eurjchem-2143	227	1	varghese	PERSON
eurjchem-2143	227	2	s. s.	PERSON
eurjchem-2143	227	3	s.	PERSON
eurjchem-2143	227	4	singh	GPE
eurjchem-2143	227	5	k. k.	PERSON
eurjchem-2143	227	6	s.	PERSON
eurjchem-2143	227	7	abdala	PERSON
eurjchem-2143	227	8	a. sens	PERSON
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eurjchem-2143	228	2	218	CARDINAL
eurjchem-2143	228	3	160–183	CARDINAL
eurjchem-2143	229	1	7	CARDINAL
eurjchem-2143	230	1	a. s.	PERSON
eurjchem-2143	230	2	ayub	ORG
eurjchem-2143	230	3	k. j. alloys compd	PERSON
eurjchem-2143	230	4	2016	CARDINAL
eurjchem-2143	230	5	678	CARDINAL
eurjchem-2143	230	6	317–324	CARDINAL
eurjchem-2143	231	1	8	CARDINAL
eurjchem-2143	232	1	khongpracha	PERSON
eurjchem-2143	232	2	probst	ORG
eurjchem-2143	232	3	m.; limtrakul	PERSON
eurjchem-2143	232	4	j. j. mol.	PERSON
eurjchem-2143	233	1	2009	DATE
eurjchem-2143	233	2	28	CARDINAL
eurjchem-2143	233	3	1	CARDINAL
eurjchem-2143	233	4	62–69	CARDINAL
eurjchem-2143	234	1	9	CARDINAL
eurjchem-2143	234	2	conti	PERSON
eurjchem-2143	234	3	m.; tazzari	PERSON
eurjchem-2143	234	4	c.; pertici	GPE
eurjchem-2143	234	5	l. p.	PERSON
eurjchem-2143	234	6	de giorgi	PERSON
eurjchem-2143	234	7	2006	DATE
eurjchem-2143	234	8	20	CARDINAL
eurjchem-2143	234	9	6a	CARDINAL
eurjchem-2143	234	10	697–701	CARDINAL
eurjchem-2143	235	1	10	CARDINAL
eurjchem-2143	236	1	singh	GPE
eurjchem-2143	236	2	r.	NORP
eurjchem-2143	236	3	lillard	PERSON
eurjchem-2143	236	4	j. w., jr.	PERSON
eurjchem-2143	238	1	2009	DATE
eurjchem-2143	238	2	86	DATE
eurjchem-2143	238	3	3	CARDINAL
eurjchem-2143	238	4	215–223	CARDINAL
eurjchem-2143	239	1	11	CARDINAL
eurjchem-2143	240	1	r.	NORP
eurjchem-2143	240	2	vallant	PERSON
eurjchem-2143	240	3	r. m.	PERSON
eurjchem-2143	240	4	najam-ul-haq	PERSON
eurjchem-2143	240	5	m.; rainer	PERSON
eurjchem-2143	240	6	m.; szabo	PERSON
eurjchem-2143	240	7	z.; huck	PERSON
eurjchem-2143	240	8	c. w.	PERSON
eurjchem-2143	240	9	bonn	GPE
eurjchem-2143	240	10	g. k. int	PERSON
eurjchem-2143	241	1	j. nanomedicine	PERSON
eurjchem-2143	241	2	2007	DATE
eurjchem-2143	241	3	2	CARDINAL
eurjchem-2143	241	4	4	CARDINAL
eurjchem-2143	241	5	639–649	CARDINAL
eurjchem-2143	242	1	12	CARDINAL
eurjchem-2143	243	1	mubeen	DATE
eurjchem-2143	243	2	myung	PERSON
eurjchem-2143	243	3	n. v.	PERSON
eurjchem-2143	243	4	m. a. nanotechnology	PERSON
eurjchem-2143	243	5	2008	DATE
eurjchem-2143	243	6	19	DATE
eurjchem-2143	243	7	33	CARDINAL
eurjchem-2143	243	8	332001	DATE
eurjchem-2143	244	1	13	CARDINAL
eurjchem-2143	245	1	snow	PERSON
eurjchem-2143	245	2	e. s.	PERSON
eurjchem-2143	245	3	f. k.; robinson	PERSON
eurjchem-2143	245	4	j. a. chem	PERSON
eurjchem-2143	247	1	2006	DATE
eurjchem-2143	247	2	35	DATE
eurjchem-2143	247	3	9	CARDINAL
eurjchem-2143	247	4	790–798	CARDINAL
eurjchem-2143	248	1	14	CARDINAL
eurjchem-2143	251	1	lett	PERSON
eurjchem-2143	252	1	2004	DATE
eurjchem-2143	252	2	84	CARDINAL
eurjchem-2143	252	3	19	CARDINAL
eurjchem-2143	252	4	3936–3937	CARDINAL
eurjchem-2143	253	1	15	CARDINAL
eurjchem-2143	254	1	rakib hossain	PERSON
eurjchem-2143	254	2	m.; mehade hasan	PERSON
eurjchem-2143	254	3	m.	PERSON
eurjchem-2143	254	4	daula shamim	PERSON
eurjchem-2143	254	5	s.	PERSON
eurjchem-2143	254	6	ferdous	GPE
eurjchem-2143	254	7	abul hossain	PERSON
eurjchem-2143	254	8	m.; ahmed	PERSON
eurjchem-2143	254	9	f. comput	PERSON
eurjchem-2143	255	1	theor	PERSON
eurjchem-2143	256	1	2021	CARDINAL
eurjchem-2143	256	2	1197	CARDINAL
eurjchem-2143	256	3	113156	DATE
eurjchem-2143	256	4	113156	DATE
eurjchem-2143	257	1	16	CARDINAL
eurjchem-2143	258	1	hossain	PERSON
eurjchem-2143	258	2	m. r.	PERSON
eurjchem-2143	258	3	hasan	PERSON
eurjchem-2143	258	4	m. m.	PERSON
eurjchem-2143	258	5	nishat	GPE
eurjchem-2143	258	6	m.; noor-e-ashrafi	PERSON
eurjchem-2143	258	7	ahmed, f.; ferdous	PERSON
eurjchem-2143	258	8	hossain	PERSON
eurjchem-2143	258	9	m. a. j. mol	PERSON
eurjchem-2143	258	10	2021	CARDINAL
eurjchem-2143	258	11	323	CARDINAL
eurjchem-2143	258	12	114627	DATE
eurjchem-2143	258	13	114627	DATE
eurjchem-2143	259	1	17	CARDINAL
eurjchem-2143	260	1	hossain	PERSON
eurjchem-2143	260	2	m. r.	PERSON
eurjchem-2143	260	3	hasan	PERSON
eurjchem-2143	260	4	m. m.	PERSON
eurjchem-2143	260	5	rahman	PERSON
eurjchem-2143	260	6	rahman	PERSON
eurjchem-2143	260	7	m. s.	PERSON
eurjchem-2143	260	8	ahmed, f.; ferdous	PERSON
eurjchem-2143	260	9	hossain	PERSON
eurjchem-2143	260	10	m. a. physica e	PERSON
eurjchem-2143	260	11	dimens	GPE
eurjchem-2143	261	1	syst	ORG
eurjchem-2143	262	1	2021	CARDINAL
eurjchem-2143	262	2	126	CARDINAL
eurjchem-2143	262	3	114483	DATE
eurjchem-2143	262	4	114483	DATE
eurjchem-2143	263	1	18	CARDINAL
eurjchem-2143	263	2	qiao	PERSON
eurjchem-2143	263	3	j. l.	PERSON
eurjchem-2143	263	4	gong	PERSON
eurjchem-2143	263	5	q. j.; du	PERSON
eurjchem-2143	263	6	l. m.; jin	PERSON
eurjchem-2143	263	7	w. j. spectrochim	PERSON
eurjchem-2143	264	1	biomol	PERSON
eurjchem-2143	265	1	spectrosc	PERSON
eurjchem-2143	266	1	2001	DATE
eurjchem-2143	266	2	57	DATE
eurjchem-2143	266	3	1	CARDINAL
eurjchem-2143	266	4	17–25	CARDINAL
eurjchem-2143	267	1	19	CARDINAL
eurjchem-2143	268	1	kushwaha	PERSON
eurjchem-2143	268	2	s. k. s.	PERSON
eurjchem-2143	268	3	ghoshal	ORG
eurjchem-2143	268	4	s.; rai, a. k.	PERSON
eurjchem-2143	268	5	singh	GPE
eurjchem-2143	268	6	s. braz	PERSON
eurjchem-2143	269	1	j. pharm	ORG
eurjchem-2143	270	1	sci. 2013,	ORG
eurjchem-2143	270	2	49	DATE
eurjchem-2143	270	3	4	CARDINAL
eurjchem-2143	270	4	629–643	CARDINAL
eurjchem-2143	271	1	20	CARDINAL
eurjchem-2143	272	1	m. s.	PERSON
eurjchem-2143	272	2	s.	PERSON
eurjchem-2143	272	3	rad,	ORG
eurjchem-2143	272	4	a. s.	PERSON
eurjchem-2143	272	5	l. physica e	PERSON
eurjchem-2143	272	6	dimens	GPE
eurjchem-2143	273	1	syst	ORG
eurjchem-2143	274	1	2017	CARDINAL
eurjchem-2143	274	2	90	DATE
eurjchem-2143	274	3	204–213	CARDINAL
eurjchem-2143	275	1	21	CARDINAL
eurjchem-2143	276	1	bagheri novir	PERSON
eurjchem-2143	276	2	s.	PERSON
eurjchem-2143	276	3	aram	GPE
eurjchem-2143	276	4	m. r. physica e	PERSON
eurjchem-2143	276	5	dimens	GPE
eurjchem-2143	277	1	syst	ORG
eurjchem-2143	278	1	2021	CARDINAL
eurjchem-2143	278	2	129	CARDINAL
eurjchem-2143	278	3	114668	CARDINAL
eurjchem-2143	278	4	114668	DATE
eurjchem-2143	279	1	22	CARDINAL
eurjchem-2143	280	1	j.	PERSON
eurjchem-2143	280	2	wang	PERSON
eurjchem-2143	280	3	b.	PERSON
eurjchem-2143	280	4	wang	ORG
eurjchem-2143	280	5	zhang, h.	ORG
eurjchem-2143	280	6	z. j. control	PERSON
eurjchem-2143	281	1	2016	DATE
eurjchem-2143	281	2	235	CARDINAL
eurjchem-2143	281	3	245–258	CARDINAL
eurjchem-2143	282	1	23	CARDINAL
eurjchem-2143	283	1	mohsennia	GPE
eurjchem-2143	283	2	m. mol	PERSON
eurjchem-2143	284	1	2019	DATE
eurjchem-2143	284	2	45	DATE
eurjchem-2143	284	3	16	CARDINAL
eurjchem-2143	284	4	1384–1394	DATE
eurjchem-2143	285	1	24	CARDINAL
eurjchem-2143	286	1	alver	GPE
eurjchem-2143	286	2	ö.	GPE
eurjchem-2143	288	1	2016	CARDINAL
eurjchem-2143	288	2	39	DATE
eurjchem-2143	288	3	5	CARDINAL
eurjchem-2143	288	4	6	CARDINAL
eurjchem-2143	288	5	145–150	CARDINAL
eurjchem-2143	290	1	25	CARDINAL
eurjchem-2143	291	1	s.	PERSON
eurjchem-2143	291	2	e.; bekhradnia, a.	PERSON
eurjchem-2143	291	3	hosseinian, a.; edjlali	PERSON
eurjchem-2143	291	4	l. vacuum 2017	PERSON
eurjchem-2143	291	5	136	CARDINAL
eurjchem-2143	291	6	156–162	CARDINAL
eurjchem-2143	292	1	26	CARDINAL
eurjchem-2143	293	1	alver	GPE
eurjchem-2143	293	2	m. j. theor	PERSON
eurjchem-2143	296	1	2017	CARDINAL
eurjchem-2143	296	2	16	CARDINAL
eurjchem-2143	296	3	1750011	DATE
eurjchem-2143	297	1	27	CARDINAL
eurjchem-2143	298	1	m. anadolu	PERSON
eurjchem-2143	298	2	univ	NORP
eurjchem-2143	299	1	j. sci.	PERSON
eurjchem-2143	299	2	technol.-appl	PERSON
eurjchem-2143	300	1	sci	ORG
eurjchem-2143	301	1	eng	PERSON
eurjchem-2143	301	2	2017, 1–1	DATE
eurjchem-2143	302	1	28	CARDINAL
eurjchem-2143	302	2	m. j.	PERSON
eurjchem-2143	302	3	g. w.	PERSON
eurjchem-2143	302	4	schlegel	ORG
eurjchem-2143	302	5	h. b.	PERSON
eurjchem-2143	302	6	scuseria	GPE
eurjchem-2143	302	7	g. e.	PERSON
eurjchem-2143	302	8	robb	PERSON
eurjchem-2143	302	9	m. a.	PERSON
eurjchem-2143	302	10	cheeseman	PERSON
eurjchem-2143	302	11	j. r.	PERSON
eurjchem-2143	302	12	scalmani	PERSON
eurjchem-2143	302	13	g.	PERSON
eurjchem-2143	302	14	barone	GPE
eurjchem-2143	302	15	mennucci	PERSON
eurjchem-2143	302	16	petersson	GPE
eurjchem-2143	302	17	g. a.	PERSON
eurjchem-2143	302	18	nakatsuji, h.	ORG
eurjchem-2143	302	19	caricato	ORG
eurjchem-2143	302	20	m.; li	PERSON
eurjchem-2143	302	21	x.	GPE
eurjchem-2143	302	22	hratchian, h. p.	ORG
eurjchem-2143	302	23	izmaylov,	ORG
eurjchem-2143	302	24	a. f.	PERSON
eurjchem-2143	302	25	j.; zheng	PERSON
eurjchem-2143	302	26	sonnenberg	GPE
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eurjchem-2143	302	85	314	CARDINAL
eurjchem-2143	302	86	european journal of chemistry	ORG
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eurjchem-2143	302	89	salvador	GPE
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eurjchem-2143	303	1	29	CARDINAL
eurjchem-2143	304	1	kim	PERSON
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eurjchem-2143	304	12	9	CARDINAL
eurjchem-2143	304	13	1	CARDINAL
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eurjchem-2143	305	1	30	CARDINAL
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eurjchem-2143	308	2	1	CARDINAL
eurjchem-2143	308	3	1	CARDINAL
eurjchem-2143	308	4	1–11	CARDINAL
eurjchem-2143	309	1	31	CARDINAL
eurjchem-2143	309	2	shntaif	GPE
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eurjchem-2143	309	5	z. m.	PERSON
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eurjchem-2143	311	1	2021	CARDINAL
eurjchem-2143	311	2	47	DATE
eurjchem-2143	311	3	3	CARDINAL
eurjchem-2143	311	4	777–783	CARDINAL
eurjchem-2143	312	1	32	CARDINAL
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eurjchem-2143	315	1	lett	PERSON
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eurjchem-2143	316	2	754	CARDINAL
eurjchem-2143	316	3	137701	DATE
eurjchem-2143	316	4	137701	DATE
eurjchem-2143	317	1	33	CARDINAL
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eurjchem-2143	318	8	3	CARDINAL
eurjchem-2143	318	9	7	CARDINAL
eurjchem-2143	318	10	929–933	CARDINAL
eurjchem-2143	319	1	34	CARDINAL
eurjchem-2143	320	1	wu	PERSON
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eurjchem-2143	320	8	10	CARDINAL
eurjchem-2143	320	9	4595–4603	CARDINAL
eurjchem-2143	321	1	35	CARDINAL
eurjchem-2143	322	1	matta	GPE
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eurjchem-2143	322	6	52	DATE
eurjchem-2143	322	7	3	CARDINAL
eurjchem-2143	322	8	360–399	DATE
eurjchem-2143	323	1	36	CARDINAL
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eurjchem-2143	326	2	33	DATE
eurjchem-2143	326	3	5	CARDINAL
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eurjchem-2143	329	2	26	CARDINAL
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eurjchem-2143	330	1	https://doi.org/10.1007/s00894-020-04419-z	ORG
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eurjchem-2143	333	1	2020	DATE
eurjchem-2143	333	2	320	CARDINAL
eurjchem-2143	333	3	114427	DATE
eurjchem-2143	333	4	114427	DATE
eurjchem-2143	334	1	39	CARDINAL
eurjchem-2143	335	1	rezaei	ORG
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eurjchem-2143	336	2	1205	DATE
eurjchem-2143	336	3	127593	CARDINAL
eurjchem-2143	336	4	127593	DATE
eurjchem-2143	337	1	40	CARDINAL
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