id	sid	eid	entity	type
eurjchem-2386	1	1	dft/hf	ORG
eurjchem-2386	1	2	4-(tert	CARDINAL
eurjchem-2386	1	3	14	CARDINAL
eurjchem-2386	1	4	1	CARDINAL
eurjchem-2386	1	5	2023	CARDINAL
eurjchem-2386	1	6	90	CARDINAL
eurjchem-2386	1	7	98	CARDINAL
eurjchem-2386	1	8	european	NORP
eurjchem-2386	1	9	2153-2249	CARDINAL
eurjchem-2386	1	10	2153-2257	CARDINAL
eurjchem-2386	2	1	2023	CARDINAL
eurjchem-2386	2	2	atlanta	GPE
eurjchem-2386	2	3	llc	GPE
eurjchem-2386	3	1	atlanta publishing house	ORG
eurjchem-2386	3	2	nc	GPE
eurjchem-2386	4	1	https://dx.doi.org/10.5155/eurjchem.14.1.90-98.2386 european journal of chemistry view journal online view article	ORG
eurjchem-2386	4	2	dft/hf	ORG
eurjchem-2386	4	3	4-(tert	CARDINAL
eurjchem-2386	4	4	1	CARDINAL
eurjchem-2386	4	5	sharma 1	PERSON
eurjchem-2386	4	6	archana akaram yadav 2	ORG
eurjchem-2386	4	7	sandeep ashok sankpal 2	PERSON
eurjchem-2386	4	8	jayakumar mohan raj 3	PERSON
eurjchem-2386	4	9	kant 1	PERSON
eurjchem-2386	4	10	1	CARDINAL
eurjchem-2386	4	11	university of jammu	ORG
eurjchem-2386	4	12	jammu	GPE
eurjchem-2386	4	13	jammu	GPE
eurjchem-2386	4	14	kashmir	GPE
eurjchem-2386	4	15	india	GPE
eurjchem-2386	4	16	2	CARDINAL
eurjchem-2386	4	17	maharashtra	NORP
eurjchem-2386	4	18	india	GPE
eurjchem-2386	4	19	3	CARDINAL
eurjchem-2386	4	20	thanthai periyar government institute of technology	ORG
eurjchem-2386	4	21	vellore-632002	DATE
eurjchem-2386	4	22	tamil	NORP
eurjchem-2386	4	23	india	GPE
eurjchem-2386	4	24	university of jammu	ORG
eurjchem-2386	4	25	jammu	GPE
eurjchem-2386	4	26	jammu	GPE
eurjchem-2386	4	27	kashmir	GPE
eurjchem-2386	4	28	india	GPE
eurjchem-2386	5	1	r. kant	PERSON
eurjchem-2386	6	1	10.5155	CARDINAL
eurjchem-2386	6	2	13	CARDINAL
eurjchem-2386	6	3	2022	CARDINAL
eurjchem-2386	6	4	10	CARDINAL
eurjchem-2386	6	5	12	CARDINAL
eurjchem-2386	6	6	31	CARDINAL
eurjchem-2386	6	7	2023	CARDINAL
eurjchem-2386	6	8	31	CARDINAL
eurjchem-2386	6	9	2023 4-(tert-butyl)-4	DATE
eurjchem-2386	8	1	95.114(4	CARDINAL
eurjchem-2386	8	2	1393.11(10	CARDINAL
eurjchem-2386	8	3	4	CARDINAL
eurjchem-2386	11	1	dft	ORG
eurjchem-2386	12	1	dft	ORG
eurjchem-2386	14	1	the homo lumo energy gap	ORG
eurjchem-2386	14	2	3.97	CARDINAL
eurjchem-2386	16	1	insilico	ORG
eurjchem-2386	16	2	pdb	NORP
eurjchem-2386	16	3	1jij	CARDINAL
eurjchem-2386	18	1	j. chem	PERSON
eurjchem-2386	19	1	2023	CARDINAL
eurjchem-2386	19	2	90-98	CARDINAL
eurjchem-2386	19	3	1	CARDINAL
eurjchem-2386	19	4	1	CARDINAL
eurjchem-2386	21	1	2	CARDINAL
eurjchem-2386	22	1	3,4	CARDINAL
eurjchem-2386	23	1	5	CARDINAL
eurjchem-2386	26	1	10-16	CARDINAL
eurjchem-2386	28	1	17	CARDINAL
eurjchem-2386	30	1	4	CARDINAL
eurjchem-2386	30	2	1h	CARDINAL
eurjchem-2386	30	3	13c	CARDINAL
eurjchem-2386	31	1	dft	ORG
eurjchem-2386	32	1	dft	ORG
eurjchem-2386	32	2	18	CARDINAL
eurjchem-2386	33	1	19	CARDINAL
eurjchem-2386	34	1	article keywords https://dx.doi.org/10.5155/eurjchem.14.1.90-98.2386 https://www.eurjchem.com/ https://dx.doi.org/10.5155/eurjchem.14.1.90-98.2386 mailto:rkant.ju@gmail.com	ORG
eurjchem-2386	34	2	14	CARDINAL
eurjchem-2386	34	3	1	CARDINAL
eurjchem-2386	34	4	2023	CARDINAL
eurjchem-2386	34	5	90	CARDINAL
eurjchem-2386	34	6	european journal of chemistry	ORG
eurjchem-2386	34	7	nc	GPE
eurjchem-2386	34	8	10.5155	CARDINAL
eurjchem-2386	34	9	1	CARDINAL
eurjchem-2386	34	10	4tbnb	CARDINAL
eurjchem-2386	35	1	ccdc no.	ORG
eurjchem-2386	36	1	2208826	CARDINAL
eurjchem-2386	36	2	c16h17no2	PERSON
eurjchem-2386	36	3	255.30	CARDINAL
eurjchem-2386	36	4	293(2	CARDINAL
eurjchem-2386	36	5	90	DATE
eurjchem-2386	36	6	90	CARDINAL
eurjchem-2386	36	7	1393.11(10	CARDINAL
eurjchem-2386	36	8	4	CARDINAL
eurjchem-2386	36	9	1.217	CARDINAL
eurjchem-2386	36	10	0.080	CARDINAL
eurjchem-2386	36	11	544.0	CARDINAL
eurjchem-2386	36	12	0.35	CARDINAL
eurjchem-2386	36	13	0.71073	CARDINAL
eurjchem-2386	36	14	2θ	CARDINAL
eurjchem-2386	36	15	6.428	CARDINAL
eurjchem-2386	36	16	52.734	CARDINAL
eurjchem-2386	37	1	-29 ≤ l ≤ 28	FAC
eurjchem-2386	37	2	12104	DATE
eurjchem-2386	37	3	2744	CARDINAL
eurjchem-2386	37	4	0.0328	CARDINAL
eurjchem-2386	37	5	0.0317	CARDINAL
eurjchem-2386	37	6	2744/0/176	CARDINAL
eurjchem-2386	37	7	1.066	CARDINAL
eurjchem-2386	39	1	0.0542	CARDINAL
eurjchem-2386	40	1	0.1489	CARDINAL
eurjchem-2386	40	2	0.0919	TIME
eurjchem-2386	40	3	0.1739	CARDINAL
eurjchem-2386	40	4	0.28/-0.17	CARDINAL
eurjchem-2386	40	5	1	CARDINAL
eurjchem-2386	40	6	4tbnb	DATE
eurjchem-2386	41	1	dft	ORG
eurjchem-2386	42	1	4tbnb	CARDINAL
eurjchem-2386	43	1	pdb	NORP
eurjchem-2386	43	2	1jij	CARDINAL
eurjchem-2386	43	3	22	CARDINAL
eurjchem-2386	45	1	23	CARDINAL
eurjchem-2386	46	1	2	CARDINAL
eurjchem-2386	46	2	2.1	CARDINAL
eurjchem-2386	47	1	1h	CARDINAL
eurjchem-2386	47	2	13c	CARDINAL
eurjchem-2386	47	3	400100	DATE
eurjchem-2386	47	4	cdcl3	PERSON
eurjchem-2386	48	1	400-4000	CARDINAL
eurjchem-2386	48	2	ir spectrophotometer	PERSON
eurjchem-2386	49	1	2.2	CARDINAL
eurjchem-2386	49	2	25 ml	QUANTITY
eurjchem-2386	50	1	1	CARDINAL
eurjchem-2386	50	2	1	CARDINAL
eurjchem-2386	50	3	1.1	CARDINAL
eurjchem-2386	50	4	4-tertbutyl	QUANTITY
eurjchem-2386	50	5	0.276 mg	QUANTITY
eurjchem-2386	50	6	2	CARDINAL
eurjchem-2386	50	7	3 ml	QUANTITY
eurjchem-2386	50	8	1:1	CARDINAL
eurjchem-2386	51	1	40 °	QUANTITY
eurjchem-2386	53	1	5 ml	QUANTITY
eurjchem-2386	55	1	3-4 days	DATE
eurjchem-2386	56	1	4tbnb	CARDINAL
eurjchem-2386	56	2	1	CARDINAL
eurjchem-2386	57	1	88%	PERCENT
eurjchem-2386	58	1	m.p.	PERSON
eurjchem-2386	59	1	112	CARDINAL
eurjchem-2386	60	1	kbr	PERSON
eurjchem-2386	60	2	ν	NORP
eurjchem-2386	60	3	2951-2865	CARDINAL
eurjchem-2386	60	4	1592	DATE
eurjchem-2386	60	5	1506	DATE
eurjchem-2386	60	6	1334	CARDINAL
eurjchem-2386	61	1	833	CARDINAL
eurjchem-2386	62	1	1h	CARDINAL
eurjchem-2386	62	2	400	CARDINAL
eurjchem-2386	62	3	cdcl3	GPE
eurjchem-2386	62	4	1.34	CARDINAL
eurjchem-2386	62	5	9h	CARDINAL
eurjchem-2386	62	6	ch3	ORG
eurjchem-2386	62	7	7.71-7.50	MONEY
eurjchem-2386	62	8	6h, arh	PERCENT
eurjchem-2386	62	9	8.26	CARDINAL
eurjchem-2386	62	10	2h	CARDINAL
eurjchem-2386	63	1	13c	CARDINAL
eurjchem-2386	63	2	100	CARDINAL
eurjchem-2386	63	3	cdcl3	GPE
eurjchem-2386	63	4	31.25	CARDINAL
eurjchem-2386	63	5	3c	CARDINAL
eurjchem-2386	63	6	ch3	ORG
eurjchem-2386	63	7	34.71	CARDINAL
eurjchem-2386	63	8	1c	CARDINAL
eurjchem-2386	63	9	124.10	CARDINAL
eurjchem-2386	63	10	2c	CARDINAL
eurjchem-2386	63	11	126.14	CARDINAL
eurjchem-2386	63	12	2c	CARDINAL
eurjchem-2386	63	13	127.05	CARDINAL
eurjchem-2386	63	14	2c	CARDINAL
eurjchem-2386	63	15	127.57	CARDINAL
eurjchem-2386	63	16	2c	CARDINAL
eurjchem-2386	63	17	135.79	CARDINAL
eurjchem-2386	63	18	1c	CARDINAL
eurjchem-2386	63	19	146.84	CARDINAL
eurjchem-2386	63	20	1c	CARDINAL
eurjchem-2386	63	21	147.47	CARDINAL
eurjchem-2386	63	22	1c	CARDINAL
eurjchem-2386	63	23	152.27	CARDINAL
eurjchem-2386	63	24	1c	CARDINAL
eurjchem-2386	64	1	2.3	CARDINAL
eurjchem-2386	65	1	0.30×0.10×0.10	PRODUCT
eurjchem-2386	65	2	hypix3000 x-ray diffractometer	PERSON
eurjchem-2386	66	1	293(2	CARDINAL
eurjchem-2386	67	1	24	CARDINAL
eurjchem-2386	67	2	25	CARDINAL
eurjchem-2386	67	3	2	CARDINAL
eurjchem-2386	67	4	26	CARDINAL
eurjchem-2386	68	1	1	CARDINAL
eurjchem-2386	70	1	0.0503	CARDINAL
eurjchem-2386	71	1	92	CARDINAL
eurjchem-2386	71	2	14	CARDINAL
eurjchem-2386	71	3	1	CARDINAL
eurjchem-2386	71	4	2023	CARDINAL
eurjchem-2386	71	5	90	CARDINAL
eurjchem-2386	71	6	nc	GPE
eurjchem-2386	71	7	10.5155	CARDINAL
eurjchem-2386	71	8	2	CARDINAL
eurjchem-2386	71	9	4tbnb	CARDINAL
eurjchem-2386	71	10	c7 1.486(3	PERSON
eurjchem-2386	71	11	1.481	CARDINAL
eurjchem-2386	71	12	1.487	CARDINAL
eurjchem-2386	71	13	c4 c5 1.381(3	ORG
eurjchem-2386	71	14	1.404	CARDINAL
eurjchem-2386	71	15	1.399	CARDINAL
eurjchem-2386	71	16	1.392	MONEY
eurjchem-2386	71	17	c4 c3 1.381(3	PERSON
eurjchem-2386	71	18	1.399	CARDINAL
eurjchem-2386	71	19	c1 c6 1.382(3	PERSON
eurjchem-2386	71	20	1.403	CARDINAL
eurjchem-2386	71	21	1.385	CARDINAL
eurjchem-2386	71	22	c4 c13 1.529(3	ORG
eurjchem-2386	71	23	1.538	CARDINAL
eurjchem-2386	71	24	1.474	CARDINAL
eurjchem-2386	71	25	1.463	CARDINAL
eurjchem-2386	71	26	1.388	CARDINAL
eurjchem-2386	71	27	1.393	CARDINAL
eurjchem-2386	71	28	1.215(2	CARDINAL
eurjchem-2386	71	29	1.226 1.188	CARDINAL
eurjchem-2386	71	30	c8 1.373(3	ORG
eurjchem-2386	71	31	1.387 1.381	CARDINAL
eurjchem-2386	71	32	1.221(2	CARDINAL
eurjchem-2386	71	33	1.226 1.188	CARDINAL
eurjchem-2386	71	34	c5 c6 1.382(3	ORG
eurjchem-2386	71	35	1.388	CARDINAL
eurjchem-2386	71	36	c10	ORG
eurjchem-2386	71	37	1.368(3	DATE
eurjchem-2386	71	38	1.391 1.381	CARDINAL
eurjchem-2386	71	39	c2 c3 1.379(3	ORG
eurjchem-2386	71	40	1.393	CARDINAL
eurjchem-2386	71	41	1.379	CARDINAL
eurjchem-2386	71	42	1.368(3	DATE
eurjchem-2386	71	43	1.391	CARDINAL
eurjchem-2386	71	44	1.381	CARDINAL
eurjchem-2386	71	45	c13	ORG
eurjchem-2386	71	46	1.521(3	CARDINAL
eurjchem-2386	71	47	1.539 1.542	CARDINAL
eurjchem-2386	71	48	c7 c12 1.391(3	PERSON
eurjchem-2386	71	49	1.405	CARDINAL
eurjchem-2386	71	50	c13	GPE
eurjchem-2386	71	51	1.546 1.536	CARDINAL
eurjchem-2386	71	52	c7 c8 1.383(3	PERSON
eurjchem-2386	71	53	1.405	CARDINAL
eurjchem-2386	71	54	c13	ORG
eurjchem-2386	71	55	1.511(3	CARDINAL
eurjchem-2386	71	56	1.546 1.542	CARDINAL
eurjchem-2386	71	57	c2 c1 c7 121.16(19	PERSON
eurjchem-2386	72	1	121.23	CARDINAL
eurjchem-2386	72	2	121.11	MONEY
eurjchem-2386	72	3	c7 121.6(2	PERSON
eurjchem-2386	72	4	121.27	CARDINAL
eurjchem-2386	72	5	121.06	CARDINAL
eurjchem-2386	72	6	c6 c1 c7 121.85(18	PERSON
eurjchem-2386	72	7	121.31	CARDINAL
eurjchem-2386	72	8	121.25	MONEY
eurjchem-2386	72	9	c10 c9	ORG
eurjchem-2386	72	10	c8 119.1(2	ORG
eurjchem-2386	72	11	118.84	CARDINAL
eurjchem-2386	72	12	c6 c1 c2 116.99(18	PERSON
eurjchem-2386	72	13	117.45	CARDINAL
eurjchem-2386	72	14	117.64	MONEY
eurjchem-2386	72	15	c8	ORG
eurjchem-2386	72	16	121.3(2	CARDINAL
eurjchem-2386	72	17	121.27	CARDINAL
eurjchem-2386	72	18	121.06	PRODUCT
eurjchem-2386	72	19	118.3(2	CARDINAL
eurjchem-2386	72	20	117.75	CARDINAL
eurjchem-2386	72	21	c12 118.7(2	ORG
eurjchem-2386	72	22	118.84	CARDINAL
eurjchem-2386	72	23	118.77	MONEY
eurjchem-2386	72	24	124.50	CARDINAL
eurjchem-2386	72	25	124.65	MONEY
eurjchem-2386	72	26	c4 c5	PERSON
eurjchem-2386	72	27	122.1(2	CARDINAL
eurjchem-2386	72	28	121.82	CARDINAL
eurjchem-2386	72	29	o2 n1 c10 118.4(2	ORG
eurjchem-2386	72	30	117.75	CARDINAL
eurjchem-2386	72	31	117.67	MONEY
eurjchem-2386	72	32	c3 c2 c1 120.9(2	PERSON
eurjchem-2386	72	33	121.21	CARDINAL
eurjchem-2386	72	34	c9	ORG
eurjchem-2386	72	35	n1 119.1(2	CARDINAL
eurjchem-2386	72	36	119.20	CARDINAL
eurjchem-2386	72	37	119.12	MONEY
eurjchem-2386	72	38	c2 c3 c4 122.8(2	PERSON
eurjchem-2386	72	39	121.61	CARDINAL
eurjchem-2386	72	40	121.87	MONEY
eurjchem-2386	72	41	119.4(2	CARDINAL
eurjchem-2386	72	42	119.21	CARDINAL
eurjchem-2386	72	43	119.12	MONEY
eurjchem-2386	72	44	c4 c13	PERSON
eurjchem-2386	72	45	112.28(19	CARDINAL
eurjchem-2386	72	46	112.33	CARDINAL
eurjchem-2386	72	47	121.55(19	CARDINAL
eurjchem-2386	72	48	121.58	CARDINAL
eurjchem-2386	72	49	121.76	CARDINAL
eurjchem-2386	72	50	c13 c4 108.92(19	ORG
eurjchem-2386	72	51	109.43	CARDINAL
eurjchem-2386	72	52	109.50	MONEY
eurjchem-2386	72	53	c12 c7 c1 120.86(19	ORG
eurjchem-2386	72	54	120.90	CARDINAL
eurjchem-2386	72	55	120.72	MONEY
eurjchem-2386	72	56	c13	GPE
eurjchem-2386	72	57	106.4(2	CARDINAL
eurjchem-2386	72	58	108.20	CARDINAL
eurjchem-2386	72	59	c7 c1 121.46(18	PERSON
eurjchem-2386	73	1	120.91	CARDINAL
eurjchem-2386	73	2	120.69	MONEY
eurjchem-2386	73	3	c13 c4 110.39(19	ORG
eurjchem-2386	73	4	109.44	CARDINAL
eurjchem-2386	73	5	c8	ORG
eurjchem-2386	73	6	c7 c12 117.68(18	PERSON
eurjchem-2386	73	7	118.18	CARDINAL
eurjchem-2386	73	8	118.58	MONEY
eurjchem-2386	73	9	c13	GPE
eurjchem-2386	73	10	110.7(3	DATE
eurjchem-2386	73	11	109.37	CARDINAL
eurjchem-2386	73	12	109.49	CARDINAL
eurjchem-2386	73	13	c5 c4 c13 122.89(19	ORG
eurjchem-2386	73	14	123.04	CARDINAL
eurjchem-2386	73	15	123.19	MONEY
eurjchem-2386	73	16	c13	GPE
eurjchem-2386	73	17	108.2(2	CARDINAL
eurjchem-2386	73	18	108.17	CARDINAL
eurjchem-2386	73	19	c4 c5 115.82(18	PERSON
eurjchem-2386	73	20	116.84	CARDINAL
eurjchem-2386	73	21	116.72	CARDINAL
eurjchem-2386	73	22	c5 c6 c1 121.40(19	PERSON
eurjchem-2386	73	23	121.03	CARDINAL
eurjchem-2386	73	24	121.16	MONEY
eurjchem-2386	73	25	c3 c4 c13 121.27(19	PERSON
eurjchem-2386	73	26	120.12	CARDINAL
eurjchem-2386	73	27	120.08	CARDINAL
eurjchem-2386	73	28	3	CARDINAL
eurjchem-2386	73	29	4tbnb	CARDINAL
eurjchem-2386	75	1	0.96	CARDINAL
eurjchem-2386	75	2	3.4451 150	CARDINAL
eurjchem-2386	75	3	1/2+x,1/2	CARDINAL
eurjchem-2386	76	1	2	CARDINAL
eurjchem-2386	77	1	4tbnb	CARDINAL
eurjchem-2386	77	2	50%	PERCENT
eurjchem-2386	78	1	27	CARDINAL
eurjchem-2386	78	2	28	CARDINAL
eurjchem-2386	79	1	29	CARDINAL
eurjchem-2386	80	1	2.4	CARDINAL
eurjchem-2386	80	2	dft/b3lyp	ORG
eurjchem-2386	81	1	30	CARDINAL
eurjchem-2386	81	2	6-311++g(d	CARDINAL
eurjchem-2386	82	1	31	CARDINAL
eurjchem-2386	83	1	beck	PERSON
eurjchem-2386	83	2	three	CARDINAL
eurjchem-2386	85	1	dft	ORG
eurjchem-2386	86	1	mulliken	PERSON
eurjchem-2386	86	2	dft	ORG
eurjchem-2386	87	1	6.0	CARDINAL
eurjchem-2386	87	2	32	CARDINAL
eurjchem-2386	88	1	2d	CARDINAL
eurjchem-2386	88	2	21.5	CARDINAL
eurjchem-2386	89	1	33	CARDINAL
eurjchem-2386	91	1	34	CARDINAL
eurjchem-2386	91	2	pdb	NORP
eurjchem-2386	91	3	1jij	CARDINAL
eurjchem-2386	92	1	35	CARDINAL
eurjchem-2386	93	1	4.1	CARDINAL
eurjchem-2386	94	1	36	CARDINAL
eurjchem-2386	95	1	3	CARDINAL
eurjchem-2386	95	2	3.1	CARDINAL
eurjchem-2386	96	1	50%	PERCENT
eurjchem-2386	96	2	2	CARDINAL
eurjchem-2386	97	1	two	CARDINAL
eurjchem-2386	97	2	1.49	CARDINAL
eurjchem-2386	98	1	dft/b3lyp	ORG
eurjchem-2386	98	2	6-311	CARDINAL
eurjchem-2386	98	3	2	CARDINAL
eurjchem-2386	99	1	c13-c15	ORG
eurjchem-2386	99	2	c14c13-c16	GPE
eurjchem-2386	100	1	c2-c1-c7-c8	ORG
eurjchem-2386	100	2	36.67°	QUANTITY
eurjchem-2386	101	1	two	CARDINAL
eurjchem-2386	101	2	37.03°	QUANTITY
eurjchem-2386	102	1	c14-h14a···o1	ORG
eurjchem-2386	102	2	3	CARDINAL
eurjchem-2386	103	1	two	CARDINAL
eurjchem-2386	103	2	cg···cg	ORG
eurjchem-2386	103	3	4	CARDINAL
eurjchem-2386	104	1	3	CARDINAL
eurjchem-2386	105	1	kumari et al	PERSON
eurjchem-2386	105	2	14	CARDINAL
eurjchem-2386	105	3	1	CARDINAL
eurjchem-2386	105	4	2023	CARDINAL
eurjchem-2386	105	5	90	CARDINAL
eurjchem-2386	105	6	2023	CARDINAL
eurjchem-2386	105	7	european journal of chemistry	ORG
eurjchem-2386	105	8	nc	GPE
eurjchem-2386	105	9	10.5155	CARDINAL
eurjchem-2386	105	10	4	CARDINAL
eurjchem-2386	106	1	4tbnb	CARDINAL
eurjchem-2386	108	1	4.6084(12	CARDINAL
eurjchem-2386	108	2	36.96(10	DATE
eurjchem-2386	108	3	51.6 17.6	CARDINAL
eurjchem-2386	108	4	2.8614(8	ORG
eurjchem-2386	108	5	4.7740(12	CARDINAL
eurjchem-2386	108	6	36.96(10	DATE
eurjchem-2386	108	7	45.2 26.4	CARDINAL
eurjchem-2386	108	8	3.3617(8	DATE
eurjchem-2386	109	1	1	CARDINAL
eurjchem-2386	109	2	5	CARDINAL
eurjchem-2386	109	3	4tbnb	CARDINAL
eurjchem-2386	111	1	3.97	CARDINAL
eurjchem-2386	112	1	6.81	CARDINAL
eurjchem-2386	112	2	2.84	CARDINAL
eurjchem-2386	112	3	1.98	CARDINAL
eurjchem-2386	112	4	1/2η 0.25	DATE
eurjchem-2386	112	5	ω	CARDINAL
eurjchem-2386	112	6	5.86	CARDINAL
eurjchem-2386	112	7	3	CARDINAL
eurjchem-2386	112	8	4tbnb	CARDINAL
eurjchem-2386	113	1	3.2	CARDINAL
eurjchem-2386	113	2	41	CARDINAL
eurjchem-2386	114	1	dft	ORG
eurjchem-2386	114	2	2.8381	CARDINAL
eurjchem-2386	114	3	4	CARDINAL
eurjchem-2386	115	1	3.97	CARDINAL
eurjchem-2386	115	2	4	CARDINAL
eurjchem-2386	116	1	42	CARDINAL
eurjchem-2386	117	1	ω	ORDINAL
eurjchem-2386	117	2	koopman	PERSON
eurjchem-2386	117	3	5	CARDINAL
eurjchem-2386	118	1	43	CARDINAL
eurjchem-2386	124	1	44	CARDINAL
eurjchem-2386	125	1	3.3	CARDINAL
eurjchem-2386	127	1	45,46	CARDINAL
eurjchem-2386	129	1	4tbnb	CARDINAL
eurjchem-2386	129	2	5	CARDINAL
eurjchem-2386	130	1	47	CARDINAL
eurjchem-2386	132	1	3.4	CARDINAL
eurjchem-2386	133	1	mulliken	PERSON
eurjchem-2386	134	1	48	CARDINAL
eurjchem-2386	135	1	two	CARDINAL
eurjchem-2386	135	2	dft	ORG
eurjchem-2386	135	3	311++g(d	CARDINAL
eurjchem-2386	135	4	hf/6311++g(d	PRODUCT
eurjchem-2386	135	5	6	CARDINAL
eurjchem-2386	136	1	c7	PERSON
eurjchem-2386	136	2	c13	GPE
eurjchem-2386	136	3	dft	ORG
eurjchem-2386	137	1	94	CARDINAL
eurjchem-2386	138	1	kumari et al	PERSON
eurjchem-2386	138	2	14	CARDINAL
eurjchem-2386	138	3	1	CARDINAL
eurjchem-2386	138	4	2023	CARDINAL
eurjchem-2386	138	5	90	CARDINAL
eurjchem-2386	138	6	nc	GPE
eurjchem-2386	138	7	10.5155	CARDINAL
eurjchem-2386	138	8	ev ↕	PERSON
eurjchem-2386	138	9	3.97	CARDINAL
eurjchem-2386	138	10	4	CARDINAL
eurjchem-2386	138	11	homo lumo	PERSON
eurjchem-2386	138	12	4tbnb	CARDINAL
eurjchem-2386	138	13	5	CARDINAL
eurjchem-2386	139	1	4tbnb	CARDINAL
eurjchem-2386	139	2	6	CARDINAL
eurjchem-2386	139	3	mulliken atomic	PERSON
eurjchem-2386	139	4	4tbnb	CARDINAL
eurjchem-2386	140	1	dft	ORG
eurjchem-2386	141	1	dft	ORG
eurjchem-2386	142	1	3.5	CARDINAL
eurjchem-2386	144	1	hs	PERSON
eurjchem-2386	144	2	7	CARDINAL
eurjchem-2386	145	1	c14-h14a···o1	ORG
eurjchem-2386	147	1	7	CARDINAL
eurjchem-2386	147	2	-1	ORG
eurjchem-2386	147	3	1 å	CARDINAL
eurjchem-2386	149	1	7	CARDINAL
eurjchem-2386	150	1	π-π	ORG
eurjchem-2386	151	1	two	CARDINAL
eurjchem-2386	151	2	49	CARDINAL
eurjchem-2386	151	3	8	CARDINAL
eurjchem-2386	152	1	kumari et al	PERSON
eurjchem-2386	152	2	14	CARDINAL
eurjchem-2386	152	3	1	CARDINAL
eurjchem-2386	152	4	2023	CARDINAL
eurjchem-2386	152	5	90	CARDINAL
eurjchem-2386	152	6	european journal of chemistry	ORG
eurjchem-2386	152	7	nc	GPE
eurjchem-2386	152	8	10.5155	CARDINAL
eurjchem-2386	152	9	7	CARDINAL
eurjchem-2386	153	1	4tbnb	CARDINAL
eurjchem-2386	153	2	8	CARDINAL
eurjchem-2386	154	1	2d	DATE
eurjchem-2386	154	2	4tbnb	CARDINAL
eurjchem-2386	155	1	two	CARDINAL
eurjchem-2386	155	2	24.8%	PERCENT
eurjchem-2386	156	1	h···h	PERSON
eurjchem-2386	156	2	47.9%	PERCENT
eurjchem-2386	156	3	c···c	GPE
eurjchem-2386	156	4	21.4	CARDINAL
eurjchem-2386	156	5	3%	PERCENT
eurjchem-2386	157	1	21.5	CARDINAL
eurjchem-2386	157	2	33	CARDINAL
eurjchem-2386	158	1	152.10	CARDINAL
eurjchem-2386	158	2	565.29	CARDINAL
eurjchem-2386	159	1	4tbnb	DATE
eurjchem-2386	159	2	10.91%	PERCENT
eurjchem-2386	159	3	9	CARDINAL
eurjchem-2386	159	4	50	CARDINAL
eurjchem-2386	160	1	3.6	CARDINAL
eurjchem-2386	163	1	two	CARDINAL
eurjchem-2386	163	2	4tbnb	CARDINAL
eurjchem-2386	163	3	1jij	CARDINAL
eurjchem-2386	163	4	10	CARDINAL
eurjchem-2386	164	1	4tbnb-1jij	PERSON
eurjchem-2386	164	2	three	CARDINAL
eurjchem-2386	164	3	one	CARDINAL
eurjchem-2386	164	4	five	CARDINAL
eurjchem-2386	164	5	three	CARDINAL
eurjchem-2386	164	6	6	CARDINAL
eurjchem-2386	165	1	three	CARDINAL
eurjchem-2386	165	2	4tbnb	CARDINAL
eurjchem-2386	165	3	1.49	CARDINAL
eurjchem-2386	166	1	2.92	CARDINAL
eurjchem-2386	167	1	96	CARDINAL
eurjchem-2386	167	2	kumari et al	PERSON
eurjchem-2386	167	3	14	CARDINAL
eurjchem-2386	167	4	1	CARDINAL
eurjchem-2386	167	5	2023	CARDINAL
eurjchem-2386	167	6	90	CARDINAL
eurjchem-2386	167	7	nc	GPE
eurjchem-2386	167	8	10.5155	CARDINAL
eurjchem-2386	167	9	6	CARDINAL
eurjchem-2386	168	1	4-(tert	CARDINAL
eurjchem-2386	168	2	1jij	CARDINAL
eurjchem-2386	169	1	4tbnb	CARDINAL
eurjchem-2386	170	1	1.49	CARDINAL
eurjchem-2386	170	2	1.60	CARDINAL
eurjchem-2386	170	3	2.60	CARDINAL
eurjchem-2386	171	1	5.18	CARDINAL
eurjchem-2386	172	1	3.50	CARDINAL
eurjchem-2386	173	1	3.24	CARDINAL
eurjchem-2386	173	2	4.84	CARDINAL
eurjchem-2386	174	1	4.73	CARDINAL
eurjchem-2386	175	1	2.92	CARDINAL
eurjchem-2386	176	1	4.97	CARDINAL
eurjchem-2386	176	2	π-π	ORG
eurjchem-2386	176	3	3.86	CARDINAL
eurjchem-2386	176	4	4.30	CARDINAL
eurjchem-2386	176	5	9	CARDINAL
eurjchem-2386	177	1	4tbnb	CARDINAL
eurjchem-2386	177	2	10	CARDINAL
eurjchem-2386	178	1	3d	CARDINAL
eurjchem-2386	178	2	4-(tert	CARDINAL
eurjchem-2386	178	3	1jij	CARDINAL
eurjchem-2386	179	1	11	CARDINAL
eurjchem-2386	180	1	2d	DATE
eurjchem-2386	180	2	4-(tert	CARDINAL
eurjchem-2386	180	3	1jij	CARDINAL
eurjchem-2386	181	1	three	CARDINAL
eurjchem-2386	181	2	5.18	CARDINAL
eurjchem-2386	181	3	3.50	CARDINAL
eurjchem-2386	181	4	3.24	CARDINAL
eurjchem-2386	182	1	fourth	ORDINAL
eurjchem-2386	182	2	six	CARDINAL
eurjchem-2386	182	3	4.84 å	PERCENT
eurjchem-2386	183	1	4.73	CARDINAL
eurjchem-2386	184	1	6	CARDINAL
eurjchem-2386	185	1	six	CARDINAL
eurjchem-2386	185	2	4.97	CARDINAL
eurjchem-2386	186	1	3.86	CARDINAL
eurjchem-2386	187	1	kumari et al	PERSON
eurjchem-2386	187	2	14	CARDINAL
eurjchem-2386	187	3	1	CARDINAL
eurjchem-2386	187	4	2023	CARDINAL
eurjchem-2386	187	5	90	CARDINAL
eurjchem-2386	187	6	2023	CARDINAL
eurjchem-2386	187	7	european journal of chemistry	ORG
eurjchem-2386	187	8	nc	GPE
eurjchem-2386	187	9	10.5155	CARDINAL
eurjchem-2386	187	10	4.30	CARDINAL
eurjchem-2386	188	1	(-7.2 kcal	QUANTITY
eurjchem-2386	188	2	4-(tert-butyl)-4-nitro-1,1-biphenyl	PRODUCT
eurjchem-2386	188	3	4tbnb	CARDINAL
eurjchem-2386	189	1	4	CARDINAL
eurjchem-2386	189	2	4tbnb	CARDINAL
eurjchem-2386	190	1	sc-xrd	GPE
eurjchem-2386	190	2	dft/hf	ORG
eurjchem-2386	191	1	dft	ORG
eurjchem-2386	193	1	3.97	CARDINAL
eurjchem-2386	196	1	47.9%	PERCENT
eurjchem-2386	197	1	4tbnb	CARDINAL
eurjchem-2386	197	2	4tbnb	CARDINAL
eurjchem-2386	198	1	rajni kant	PERSON
eurjchem-2386	198	2	the university of jammu	ORG
eurjchem-2386	198	3	shiksha	GPE
eurjchem-2386	198	4	india	GPE
eurjchem-2386	201	1	cambridge	GPE
eurjchem-2386	201	2	12	CARDINAL
eurjchem-2386	201	3	cambridge	GPE
eurjchem-2386	201	4	uk	GPE
eurjchem-2386	207	1	neha kumari	PERSON
eurjchem-2386	207	2	rajni kant	PERSON
eurjchem-2386	207	3	neha kumari	PERSON
eurjchem-2386	207	4	neha kumari	PERSON
eurjchem-2386	207	5	1h	CARDINAL
eurjchem-2386	207	6	sandeep	NORP
eurjchem-2386	207	7	ashok sankpal	PERSON
eurjchem-2386	207	8	archana akaram yadav	PERSON
eurjchem-2386	207	9	rajni kant	PERSON
eurjchem-2386	207	10	rajni kant	PERSON
eurjchem-2386	207	11	rajni kant	PERSON
eurjchem-2386	207	12	jayakumar mohan raj	PERSON
eurjchem-2386	207	13	rajni kant	PERSON
eurjchem-2386	207	14	rajni kant	PERSON
eurjchem-2386	207	15	rajni kant	PERSON
eurjchem-2386	207	16	rajni kant	PERSON
eurjchem-2386	207	17	rajni kant	PERSON
eurjchem-2386	208	1	rajni kant	PERSON
eurjchem-2386	209	1	neha kumari	PERSON
eurjchem-2386	210	1	archana akaram yadav yadavarchana743@gmail.com	ORG
eurjchem-2386	211	1	sandeep ashok sankpal	PERSON
eurjchem-2386	211	2	jayakumar mohan raj	PERSON
eurjchem-2386	213	1	kant rkant.ju@gmail.com	PERSON
eurjchem-2386	213	2	1	CARDINAL
eurjchem-2386	214	1	jain	PERSON
eurjchem-2386	214	2	z. j.	PERSON
eurjchem-2386	214	3	gide	ORG
eurjchem-2386	214	4	p. s.	PERSON
eurjchem-2386	214	5	r. s. biphenyls	PERSON
eurjchem-2386	215	1	arab	NORP
eurjchem-2386	216	1	j. chem	PERSON
eurjchem-2386	217	1	2017	CARDINAL
eurjchem-2386	217	2	10	DATE
eurjchem-2386	218	1	2	CARDINAL
eurjchem-2386	219	1	j. w.	PERSON
eurjchem-2386	219	2	williams	PERSON
eurjchem-2386	219	3	r. t.	PERSON
eurjchem-2386	221	1	j. 1965,	PERSON
eurjchem-2386	221	2	96	DATE
eurjchem-2386	221	3	872–878	CARDINAL
eurjchem-2386	222	1	3	CARDINAL
eurjchem-2386	223	1	yamamura	ORG
eurjchem-2386	223	2	k.; ono	PERSON
eurjchem-2386	223	3	s.	PERSON
eurjchem-2386	223	4	tabushi	ORG
eurjchem-2386	223	5	4,4′biphenanthryl	CARDINAL
eurjchem-2386	224	1	tetrahedron lett.	PERSON
eurjchem-2386	224	2	1988	DATE
eurjchem-2386	224	3	29	CARDINAL
eurjchem-2386	224	4	1797–1798	DATE
eurjchem-2386	225	1	4	CARDINAL
eurjchem-2386	226	1	hohnholz	PERSON
eurjchem-2386	226	2	d.	NORP
eurjchem-2386	226	3	subramanian	PERSON
eurjchem-2386	226	4	l. r.	PERSON
eurjchem-2386	226	5	wedel, a.	ORG
eurjchem-2386	226	6	w.	PERSON
eurjchem-2386	226	7	m.	PERSON
eurjchem-2386	229	1	2000	DATE
eurjchem-2386	229	2	110	CARDINAL
eurjchem-2386	229	3	141–152	CARDINAL
eurjchem-2386	230	1	5	CARDINAL
eurjchem-2386	231	1	cincinelli	PERSON
eurjchem-2386	231	2	r.	NORP
eurjchem-2386	231	3	zwick	GPE
eurjchem-2386	231	4	de cesare	PERSON
eurjchem-2386	231	5	m.; zunino	PERSON
eurjchem-2386	231	6	f.	PERSON
eurjchem-2386	231	7	m.; dallavalle	PERSON
eurjchem-2386	231	8	s. biphenyl-4-yl-acrylohydroxamic	PERSON
eurjchem-2386	233	1	j. med.	PERSON
eurjchem-2386	234	1	2016	CARDINAL
eurjchem-2386	234	2	112	DATE
eurjchem-2386	234	3	99–105	CARDINAL
eurjchem-2386	235	1	6	CARDINAL
eurjchem-2386	236	1	lee	PERSON
eurjchem-2386	237	1	nguyen	PERSON
eurjchem-2386	237	2	maeng	GPE
eurjchem-2386	237	3	h.-j	GPE
eurjchem-2386	237	4	mee lee	PERSON
eurjchem-2386	237	5	k.; jun	PERSON
eurjchem-2386	239	1	biol.	ORG
eurjchem-2386	240	1	2021	CARDINAL
eurjchem-2386	240	2	98	DATE
eurjchem-2386	240	3	733–750	CARDINAL
eurjchem-2386	241	1	7	CARDINAL
eurjchem-2386	241	2	pisano	PERSON
eurjchem-2386	241	3	m.; dettori	PERSON
eurjchem-2386	241	4	m. a.	PERSON
eurjchem-2386	241	5	d.	NORP
eurjchem-2386	241	6	delogu	GPE
eurjchem-2386	241	7	palmieri	GPE
eurjchem-2386	241	8	c. anticancer	PERSON
eurjchem-2386	241	9	two	CARDINAL
eurjchem-2386	243	1	j. mol.	PERSON
eurjchem-2386	244	1	sci	ORG
eurjchem-2386	244	2	2021	CARDINAL
eurjchem-2386	244	3	22	DATE
eurjchem-2386	244	4	5636	DATE
eurjchem-2386	245	1	8	CARDINAL
eurjchem-2386	246	1	zhao	PERSON
eurjchem-2386	246	2	d.	NORP
eurjchem-2386	246	3	zhao	PERSON
eurjchem-2386	246	4	s.	PERSON
eurjchem-2386	246	5	zhao	PERSON
eurjchem-2386	246	6	l.; zhang	PERSON
eurjchem-2386	246	7	x.	GPE
eurjchem-2386	246	8	wei	PERSON
eurjchem-2386	246	9	liu	PERSON
eurjchem-2386	246	10	hao	PERSON
eurjchem-2386	246	11	su	PERSON
eurjchem-2386	246	12	x.	GPE
eurjchem-2386	246	13	cheng	PERSON
eurjchem-2386	246	14	m. discovery	PERSON
eurjchem-2386	247	1	bioorg	PERSON
eurjchem-2386	248	1	med. chem	ORG
eurjchem-2386	249	1	2017	CARDINAL
eurjchem-2386	249	2	25	DATE
eurjchem-2386	249	3	750–758	CARDINAL
eurjchem-2386	250	1	9	CARDINAL
eurjchem-2386	251	1	deep, a.	PERSON
eurjchem-2386	251	2	jain	GPE
eurjchem-2386	251	3	s.	PERSON
eurjchem-2386	251	4	p. c.	PERSON
eurjchem-2386	251	5	5-(arylidene)-2(aryl)-4	CARDINAL
eurjchem-2386	253	1	pharm	ORG
eurjchem-2386	254	1	2010	DATE
eurjchem-2386	254	2	67	DATE
eurjchem-2386	254	3	63–67	CARDINAL
eurjchem-2386	255	1	10	CARDINAL
eurjchem-2386	256	1	morawska	PERSON
eurjchem-2386	256	2	k.	PERSON
eurjchem-2386	256	3	jedlińska	PERSON
eurjchem-2386	256	4	k.	PERSON
eurjchem-2386	256	5	smarzewska	PERSON
eurjchem-2386	256	6	s.	PERSON
eurjchem-2386	256	7	metelka	GPE
eurjchem-2386	256	8	r.	NORP
eurjchem-2386	256	9	ciesielski	PERSON
eurjchem-2386	256	10	w.	PERSON
eurjchem-2386	256	11	guziejewski	PERSON
eurjchem-2386	259	1	2019	DATE
eurjchem-2386	259	2	17	DATE
eurjchem-2386	260	1	11	CARDINAL
eurjchem-2386	261	1	s.	PERSON
eurjchem-2386	261	2	yang	PERSON
eurjchem-2386	261	3	moon	GPE
eurjchem-2386	261	4	s.	PERSON
eurjchem-2386	262	1	kim	PERSON
eurjchem-2386	262	2	liu	PERSON
eurjchem-2386	262	3	hur	ORG
eurjchem-2386	262	4	h.g.	PERSON
eurjchem-2386	263	1	hmh	ORG
eurjchem-2386	264	1	j. hazard	PERSON
eurjchem-2386	265	1	2021	CARDINAL
eurjchem-2386	265	2	402	CARDINAL
eurjchem-2386	265	3	123510	DATE
eurjchem-2386	266	1	12	CARDINAL
eurjchem-2386	267	1	tavera-hernández	PERSON
eurjchem-2386	267	2	r.	NORP
eurjchem-2386	267	3	jiménez	PERSON
eurjchem-2386	267	4	m.	PERSON
eurjchem-2386	267	5	alvarado-sansininea	GPE
eurjchem-2386	267	6	j. j.	PERSON
eurjchem-2386	267	7	nieto-camacho	ORG
eurjchem-2386	267	8	lópez-muñoz	ORG
eurjchem-2386	267	9	h.	PERSON
eurjchem-2386	267	10	l.; escobar	PERSON
eurjchem-2386	267	11	m. l.	PERSON
eurjchem-2386	268	1	lett. drug des.	ORG
eurjchem-2386	269	1	2021	CARDINAL
eurjchem-2386	269	2	18	DATE
eurjchem-2386	269	3	795–805	CARDINAL
eurjchem-2386	270	1	13	CARDINAL
eurjchem-2386	271	1	ribeiro	PERSON
eurjchem-2386	271	2	t. a.	GPE
eurjchem-2386	271	3	machado-ferreira	PERSON
eurjchem-2386	271	4	e.; guimarães	PERSON
eurjchem-2386	271	5	l. f.	PERSON
eurjchem-2386	271	6	j.; britto	PERSON
eurjchem-2386	271	7	a. m. a.	PERSON
eurjchem-2386	271	8	de souza	PERSON
eurjchem-2386	271	9	l. m. p.	PERSON
eurjchem-2386	271	10	a. s.	PERSON
eurjchem-2386	271	11	picciani	NORP
eurjchem-2386	271	12	p. h. s.	PERSON
eurjchem-2386	271	13	oliveira, o. n., jr; barreto	PERSON
eurjchem-2386	271	14	c. b.	PERSON
eurjchem-2386	271	15	c. a. g.	PERSON
eurjchem-2386	274	1	eng	PERSON
eurjchem-2386	274	2	2021	CARDINAL
eurjchem-2386	274	3	626	CARDINAL
eurjchem-2386	274	4	126984	DATE
eurjchem-2386	275	1	14	CARDINAL
eurjchem-2386	276	1	adedapo	PERSON
eurjchem-2386	276	2	a. d. a.	PERSON
eurjchem-2386	276	3	a. m.	PERSON
eurjchem-2386	276	4	n. l.	PERSON
eurjchem-2386	276	5	a.; omobowale	PERSON
eurjchem-2386	276	6	adedapo	PERSON
eurjchem-2386	276	7	a. a.	PERSON
eurjchem-2386	276	8	phragmanthera incana	ORG
eurjchem-2386	277	1	j. ethnopharmacol	PERSON
eurjchem-2386	278	1	2020	DATE
eurjchem-2386	278	2	257	CARDINAL
eurjchem-2386	278	3	112888	DATE
eurjchem-2386	279	1	15	CARDINAL
eurjchem-2386	280	1	a. m.	PERSON
eurjchem-2386	280	2	s. b.	PERSON
eurjchem-2386	281	1	2021	CARDINAL
eurjchem-2386	281	2	11	DATE
eurjchem-2386	281	3	267	CARDINAL
eurjchem-2386	282	1	16	CARDINAL
eurjchem-2386	282	2	becker	PERSON
eurjchem-2386	282	3	f. f.	PERSON
eurjchem-2386	282	4	mukhopadhyay	PERSON
eurjchem-2386	282	5	hackfeld	GPE
eurjchem-2386	282	6	l.	PERSON
eurjchem-2386	282	7	i.	PERSON
eurjchem-2386	282	8	b. k. polycyclic	PERSON
eurjchem-2386	283	1	bioorg	PERSON
eurjchem-2386	284	1	med. chem	ORG
eurjchem-2386	285	1	2000	DATE
eurjchem-2386	285	2	8	DATE
eurjchem-2386	285	3	2693–2699	DATE
eurjchem-2386	286	1	17	CARDINAL
eurjchem-2386	287	1	al-momani	PERSON
eurjchem-2386	287	2	müller	PERSON
eurjchem-2386	287	3	m. the tert-butyl	PERSON
eurjchem-2386	288	1	biomol	PERSON
eurjchem-2386	290	1	2008	DATE
eurjchem-2386	290	2	6	DATE
eurjchem-2386	290	3	2655–2665	CARDINAL
eurjchem-2386	291	1	18	CARDINAL
eurjchem-2386	292	1	k.	PERSON
eurjchem-2386	292	2	j.; hni	PERSON
eurjchem-2386	292	3	hökelek	GPE
eurjchem-2386	292	4	e. h.	PERSON
eurjchem-2386	292	5	a.; mague	PERSON
eurjchem-2386	292	6	j. t.	PERSON
eurjchem-2386	292	7	n. k.	PERSON
eurjchem-2386	292	8	ibrahimi, a.; essassi	ORG
eurjchem-2386	292	9	e. m. synthesis	PERSON
eurjchem-2386	292	10	mailto:data_request@ccdc.cam.ac.uk	NORP
eurjchem-2386	294	1	http://orcid.org/0000-0001-8043-2329 98	DATE
eurjchem-2386	294	2	14	CARDINAL
eurjchem-2386	294	3	1	CARDINAL
eurjchem-2386	294	4	2023	CARDINAL
eurjchem-2386	294	5	90	CARDINAL
eurjchem-2386	294	6	nc	GPE
eurjchem-2386	294	7	10.5155	CARDINAL
eurjchem-2386	294	8	dft	ORG
eurjchem-2386	294	9	1,5benzodiazepin-2	CARDINAL
eurjchem-2386	295	1	j. mol	PERSON
eurjchem-2386	296	1	2022	CARDINAL
eurjchem-2386	296	2	1247	CARDINAL
eurjchem-2386	296	3	131188	DATE
eurjchem-2386	297	1	19	CARDINAL
eurjchem-2386	298	1	carvalho,	PERSON
eurjchem-2386	298	2	a. j. p.	PERSON
eurjchem-2386	298	3	dordio, a. v.	ORG
eurjchem-2386	300	1	dft	ORG
eurjchem-2386	301	1	j. mol.	PERSON
eurjchem-2386	302	1	2014	DATE
eurjchem-2386	302	2	20	DATE
eurjchem-2386	302	3	2336	CARDINAL
eurjchem-2386	303	1	20	CARDINAL
eurjchem-2386	304	1	hok	ORG
eurjchem-2386	304	2	božičević	ORG
eurjchem-2386	304	3	l.; sremec	PERSON
eurjchem-2386	304	4	d.	NORP
eurjchem-2386	304	5	vrček	GPE
eurjchem-2386	304	6	1,4	CARDINAL
eurjchem-2386	306	1	biomol	PERSON
eurjchem-2386	308	1	2019	CARDINAL
eurjchem-2386	308	2	17	DATE
eurjchem-2386	308	3	1471	CARDINAL
eurjchem-2386	308	4	1479	CARDINAL
eurjchem-2386	309	1	21	CARDINAL
eurjchem-2386	310	1	ganjali koli	PERSON
eurjchem-2386	310	2	m.; azizi	PERSON
eurjchem-2386	310	3	k.	PERSON
eurjchem-2386	310	4	dft	ORG
eurjchem-2386	311	1	j. mol.	PERSON
eurjchem-2386	312	1	2019	CARDINAL
eurjchem-2386	312	2	90	DATE
eurjchem-2386	312	3	171–179	CARDINAL
eurjchem-2386	313	1	22	CARDINAL
eurjchem-2386	314	1	mcclendon, a. k.	ORG
eurjchem-2386	316	1	2007	DATE
eurjchem-2386	316	2	623	CARDINAL
eurjchem-2386	317	1	23	CARDINAL
eurjchem-2386	318	1	gibson	PERSON
eurjchem-2386	318	2	e. g.	PERSON
eurjchem-2386	318	3	chan	ORG
eurjchem-2386	318	4	p. f.	PERSON
eurjchem-2386	321	1	2019	DATE
eurjchem-2386	321	2	5	DATE
eurjchem-2386	321	3	570–581	CARDINAL
eurjchem-2386	322	1	24	CARDINAL
eurjchem-2386	322	2	sheldrick	PERSON
eurjchem-2386	322	3	g. m.	PERSON
eurjchem-2386	324	1	2008	DATE
eurjchem-2386	324	2	64	DATE
eurjchem-2386	324	3	112–122	CARDINAL
eurjchem-2386	325	1	25	CARDINAL
eurjchem-2386	325	2	sheldrick	PERSON
eurjchem-2386	325	3	g. m. shelxt	PERSON
eurjchem-2386	328	1	2015	DATE
eurjchem-2386	328	2	71	DATE
eurjchem-2386	328	3	3	CARDINAL
eurjchem-2386	328	4	8	CARDINAL
eurjchem-2386	329	1	26	CARDINAL
eurjchem-2386	330	1	dolomanov	GPE
eurjchem-2386	330	2	l. j.; gildea	PERSON
eurjchem-2386	330	3	r. j.	PERSON
eurjchem-2386	330	4	howard	ORG
eurjchem-2386	330	5	j. a. k.	PERSON
eurjchem-2386	330	6	h. olex2	PERSON
eurjchem-2386	331	1	j. appl	PERSON
eurjchem-2386	331	2	crystallogr	PERSON
eurjchem-2386	332	1	2009	DATE
eurjchem-2386	332	2	42	DATE
eurjchem-2386	332	3	339–341	CARDINAL
eurjchem-2386	333	1	27	CARDINAL
eurjchem-2386	334	1	a. l.	PERSON
eurjchem-2386	337	1	crystallogr	PERSON
eurjchem-2386	338	1	2009	DATE
eurjchem-2386	338	2	65	DATE
eurjchem-2386	338	3	148–155	CARDINAL
eurjchem-2386	339	1	28	CARDINAL
eurjchem-2386	340	1	nardelli	PERSON
eurjchem-2386	340	2	m. parst	PERSON
eurjchem-2386	343	1	1983	DATE
eurjchem-2386	343	2	7	CARDINAL
eurjchem-2386	343	3	95–98	CARDINAL
eurjchem-2386	344	1	29	CARDINAL
eurjchem-2386	344	2	macrae	PERSON
eurjchem-2386	344	3	c. f.	PERSON
eurjchem-2386	344	4	bruno	GPE
eurjchem-2386	344	5	i. j.	PERSON
eurjchem-2386	344	6	chisholm	ORG
eurjchem-2386	344	7	j. a.	PERSON
eurjchem-2386	344	8	pidcock	PERSON
eurjchem-2386	344	9	e.; rodriguez-monge	PERSON
eurjchem-2386	344	10	l.; taylor	PERSON
eurjchem-2386	344	11	r.; van de streek	PERSON
eurjchem-2386	344	12	p. a. mercury csd 2.0	ORG
eurjchem-2386	345	1	j. appl	PERSON
eurjchem-2386	346	1	2008	DATE
eurjchem-2386	346	2	41	DATE
eurjchem-2386	346	3	466	CARDINAL
eurjchem-2386	346	4	470	CARDINAL
eurjchem-2386	347	1	30	CARDINAL
eurjchem-2386	348	1	lee	PERSON
eurjchem-2386	348	2	c.; yang	PERSON
eurjchem-2386	348	3	w.; parr	PERSON
eurjchem-2386	348	4	r. g.	PERSON
eurjchem-2386	351	1	1988	DATE
eurjchem-2386	351	2	37	DATE
eurjchem-2386	351	3	785–789	CARDINAL
eurjchem-2386	352	1	31	CARDINAL
eurjchem-2386	352	2	m. j.	PERSON
eurjchem-2386	352	3	g. w.	PERSON
eurjchem-2386	352	4	schlegel	ORG
eurjchem-2386	352	5	h. b.	PERSON
eurjchem-2386	352	6	scuseria	GPE
eurjchem-2386	352	7	g. e.	PERSON
eurjchem-2386	352	8	robb	PERSON
eurjchem-2386	352	9	m. a.	PERSON
eurjchem-2386	352	10	cheeseman	PERSON
eurjchem-2386	352	11	j. r.	PERSON
eurjchem-2386	352	12	montgomery	GPE
eurjchem-2386	352	13	j. a.	PERSON
eurjchem-2386	352	14	vreven	ORG
eurjchem-2386	352	15	kudin	ORG
eurjchem-2386	352	16	k. n.	PERSON
eurjchem-2386	352	17	j. c.	PERSON
eurjchem-2386	352	18	millam	PERSON
eurjchem-2386	352	19	j. m.	PERSON
eurjchem-2386	352	20	s. s.	PERSON
eurjchem-2386	352	21	tomasi	PERSON
eurjchem-2386	352	22	j.	PERSON
eurjchem-2386	352	23	barone	GPE
eurjchem-2386	352	24	mennucci	PERSON
eurjchem-2386	352	25	b.	PERSON
eurjchem-2386	352	26	cossi	GPE
eurjchem-2386	352	27	m.; scalmani	PERSON
eurjchem-2386	352	28	g.	PERSON
eurjchem-2386	352	29	rega	PERSON
eurjchem-2386	352	30	petersson	GPE
eurjchem-2386	352	31	g. a.	PERSON
eurjchem-2386	352	32	nakatsuji, h.	ORG
eurjchem-2386	352	33	hada	ORG
eurjchem-2386	352	34	m.; ehara, m.; toyota	PERSON
eurjchem-2386	352	35	k.; fukuda	PERSON
eurjchem-2386	352	36	r.	NORP
eurjchem-2386	352	37	hasegawa	PERSON
eurjchem-2386	352	38	j.	PERSON
eurjchem-2386	352	39	nakajima	ORG
eurjchem-2386	352	40	t.	GPE
eurjchem-2386	352	41	honda	ORG
eurjchem-2386	352	42	kitao	PERSON
eurjchem-2386	352	43	nakai, h.; klene	ORG
eurjchem-2386	352	44	m.; li	PERSON
eurjchem-2386	352	45	x.	GPE
eurjchem-2386	352	46	knox	GPE
eurjchem-2386	352	47	j. e.	PERSON
eurjchem-2386	352	48	hratchian, h. p.; cross	ORG
eurjchem-2386	352	49	j. b.	PERSON
eurjchem-2386	352	50	adamo	GPE
eurjchem-2386	352	51	j.; gomperts	PERSON
eurjchem-2386	352	52	r.	NORP
eurjchem-2386	352	53	stratmann, r. e.; yazyev	GPE
eurjchem-2386	352	54	austin	GPE
eurjchem-2386	352	55	a. j.; cammi	PERSON
eurjchem-2386	352	56	r.; pomelli	PERSON
eurjchem-2386	352	57	j. w.	PERSON
eurjchem-2386	352	58	ayala	GPE
eurjchem-2386	352	59	k.	PERSON
eurjchem-2386	352	60	voth	PERSON
eurjchem-2386	352	61	g. a.	PERSON
eurjchem-2386	352	62	salvador	GPE
eurjchem-2386	352	63	dannenberg	GPE
eurjchem-2386	352	64	j. j.	PERSON
eurjchem-2386	352	65	v. g.	PERSON
eurjchem-2386	352	66	daniels	GPE
eurjchem-2386	352	67	a. d.	PERSON
eurjchem-2386	352	68	m. c.	PERSON
eurjchem-2386	352	69	farkas	ORG
eurjchem-2386	352	70	malick	PERSON
eurjchem-2386	352	71	d. k.	PERSON
eurjchem-2386	352	72	rabuck, a. d.	PERSON
eurjchem-2386	352	73	j. b.	PERSON
eurjchem-2386	352	74	j. v.	PERSON
eurjchem-2386	352	75	q.	PERSON
eurjchem-2386	352	76	baboul	GPE
eurjchem-2386	352	77	a. g.	PERSON
eurjchem-2386	352	78	clifford	ORG
eurjchem-2386	352	79	s.	PERSON
eurjchem-2386	352	80	j.; stefanov	PERSON
eurjchem-2386	352	81	b. b.	PERSON
eurjchem-2386	353	1	liu	PERSON
eurjchem-2386	353	2	a.; piskorz	PERSON
eurjchem-2386	353	3	i.	PERSON
eurjchem-2386	353	4	martin	PERSON
eurjchem-2386	353	5	r. l.	PERSON
eurjchem-2386	353	6	fox	ORG
eurjchem-2386	353	7	d. j.	PERSON
eurjchem-2386	353	8	keith	PERSON
eurjchem-2386	353	9	al-laham	ORG
eurjchem-2386	353	10	m. a.	PERSON
eurjchem-2386	353	11	peng	PERSON
eurjchem-2386	353	12	c. y.	PERSON
eurjchem-2386	353	13	nanayakkara, a.	ORG
eurjchem-2386	353	14	m.; gill	PERSON
eurjchem-2386	353	15	m. w.	PERSON
eurjchem-2386	353	16	johnson	PERSON
eurjchem-2386	353	17	b.	PERSON
eurjchem-2386	353	18	chen	PERSON
eurjchem-2386	353	19	w.	PERSON
eurjchem-2386	353	20	wong	GPE
eurjchem-2386	353	21	m. w.	PERSON
eurjchem-2386	353	22	gonzalez	PERSON
eurjchem-2386	353	23	j. a. gaussian 09	PERSON
eurjchem-2386	354	1	a.01, gaussian inc.	ORG
eurjchem-2386	354	2	wallingford ct	GPE
eurjchem-2386	354	3	2013	DATE
eurjchem-2386	355	1	32	CARDINAL
eurjchem-2386	356	1	r.	NORP
eurjchem-2386	356	2	keith	PERSON
eurjchem-2386	356	3	t. a.	PERSON
eurjchem-2386	356	4	millam	PERSON
eurjchem-2386	356	5	j. m. gaussview	PERSON
eurjchem-2386	356	6	6	CARDINAL
eurjchem-2386	356	7	shawnee mission	PERSON
eurjchem-2386	356	8	ks	GPE
eurjchem-2386	356	9	2016	DATE
eurjchem-2386	357	1	33	CARDINAL
eurjchem-2386	358	1	turner	ORG
eurjchem-2386	358	2	m. j.	PERSON
eurjchem-2386	358	3	mckinnon	NORP
eurjchem-2386	358	4	j. j.; wolff	PERSON
eurjchem-2386	358	5	s. k.	PERSON
eurjchem-2386	358	6	d. j.	PERSON
eurjchem-2386	358	7	jayatilaka	GPE
eurjchem-2386	358	8	d.	NORP
eurjchem-2386	358	9	m. a. crystalexplorer	PERSON
eurjchem-2386	359	1	j. appl	PERSON
eurjchem-2386	360	1	2021	CARDINAL
eurjchem-2386	360	2	54	DATE
eurjchem-2386	361	1	34	CARDINAL
eurjchem-2386	362	1	morris	PERSON
eurjchem-2386	362	2	g. m.; huey	PERSON
eurjchem-2386	362	3	r.	NORP
eurjchem-2386	362	4	w.	PERSON
eurjchem-2386	362	5	m. f.; belew	PERSON
eurjchem-2386	362	6	r. k.	PERSON
eurjchem-2386	362	7	d. s.	PERSON
eurjchem-2386	362	8	olson	GPE
eurjchem-2386	362	9	a. j. autodock4	PERSON
eurjchem-2386	362	10	autodocktools4	GPE
eurjchem-2386	363	1	j. comput	PERSON
eurjchem-2386	365	1	2009	DATE
eurjchem-2386	365	2	30	DATE
eurjchem-2386	365	3	2785–2791	CARDINAL
eurjchem-2386	366	1	35	CARDINAL
eurjchem-2386	366	2	e. f.; krengel	PERSON
eurjchem-2386	366	3	g. a.	PERSON
eurjchem-2386	366	4	r. s.	PERSON
eurjchem-2386	366	5	kabsch	PERSON
eurjchem-2386	366	6	w.	PERSON
eurjchem-2386	366	7	a.	PERSON
eurjchem-2386	366	8	1.35	CARDINAL
eurjchem-2386	367	1	1990	DATE
eurjchem-2386	367	2	9	DATE
eurjchem-2386	368	1	36	CARDINAL
eurjchem-2386	369	1	dassault systѐmes biovia	ORG
eurjchem-2386	369	2	biovia	GPE
eurjchem-2386	369	3	2021	CARDINAL
eurjchem-2386	369	4	biovia	GPE
eurjchem-2386	369	5	2021	DATE
eurjchem-2386	369	6	san diego	GPE
eurjchem-2386	369	7	dassault systѐmes	ORG
eurjchem-2386	369	8	2021	CARDINAL
eurjchem-2386	370	1	2022	CARDINAL
eurjchem-2386	371	1	37	CARDINAL
eurjchem-2386	372	1	gupta	GPE
eurjchem-2386	372	2	v. k.; kumar	PERSON
eurjchem-2386	372	3	r. k.	PERSON
eurjchem-2386	372	4	n. k. crystallography	PERSON
eurjchem-2386	372	5	4,4	CARDINAL
eurjchem-2386	375	1	cryst	PERSON
eurjchem-2386	377	1	cryst	PERSON
eurjchem-2386	378	1	1999	DATE
eurjchem-2386	378	2	333	CARDINAL
eurjchem-2386	378	3	237–242	CARDINAL
eurjchem-2386	379	1	38	CARDINAL
eurjchem-2386	380	1	dinesh	PERSON
eurjchem-2386	380	2	singh	GPE
eurjchem-2386	380	3	d. x-ray	PERSON
eurjchem-2386	380	4	3	CARDINAL
eurjchem-2386	381	1	bull	PERSON
eurjchem-2386	383	1	sci.	ORG
eurjchem-2386	384	1	india	GPE
eurjchem-2386	384	2	2004	DATE
eurjchem-2386	384	3	27	DATE
eurjchem-2386	384	4	31–34	CARDINAL
eurjchem-2386	385	1	39	CARDINAL
eurjchem-2386	386	1	dhankhar	PERSON
eurjchem-2386	386	2	j.; gonzález-fernández	PERSON
eurjchem-2386	386	3	e.; dong	PERSON
eurjchem-2386	386	4	mukhopadhyay	PERSON
eurjchem-2386	386	5	t. k.	PERSON
eurjchem-2386	386	6	čorić	ORG
eurjchem-2386	387	1	j. am	PERSON
eurjchem-2386	390	1	2020	DATE
eurjchem-2386	390	2	142	CARDINAL
eurjchem-2386	390	3	19040–19046	DATE
eurjchem-2386	391	1	40	CARDINAL
eurjchem-2386	392	1	sharif	ORG
eurjchem-2386	392	2	m.; zeeshan	PERSON
eurjchem-2386	392	3	m.; reimann	PERSON
eurjchem-2386	392	4	s.	PERSON
eurjchem-2386	392	5	a.	PERSON
eurjchem-2386	392	6	langer, p. one-	ORG
eurjchem-2386	392	7	miyaura	PERSON
eurjchem-2386	392	8	1,4	CARDINAL
eurjchem-2386	393	1	tetrahedron lett.	PERSON
eurjchem-2386	394	1	2010	DATE
eurjchem-2386	394	2	51	DATE
eurjchem-2386	394	3	2810–2812	CARDINAL
eurjchem-2386	395	1	41	CARDINAL
eurjchem-2386	396	1	zazouli	GPE
eurjchem-2386	396	2	s.	PERSON
eurjchem-2386	396	3	e. m.	PERSON
eurjchem-2386	396	4	dft	ORG
eurjchem-2386	397	1	j. mol	PERSON
eurjchem-2386	398	1	2021	CARDINAL
eurjchem-2386	398	2	1239, 130465	DATE
eurjchem-2386	399	1	42	CARDINAL
eurjchem-2386	400	1	aihara	PERSON
eurjchem-2386	400	2	j.-i	GPE
eurjchem-2386	402	1	theor	ORG
eurjchem-2386	403	1	acc	ORG
eurjchem-2386	403	2	1999	DATE
eurjchem-2386	403	3	102	CARDINAL
eurjchem-2386	403	4	134–138	CARDINAL
eurjchem-2386	404	1	43	CARDINAL
eurjchem-2386	405	1	h. h.	PERSON
eurjchem-2386	405	2	mohammed	PERSON
eurjchem-2386	405	3	y. h. e.	PERSON
eurjchem-2386	405	4	al-ostoot	PERSON
eurjchem-2386	405	5	f. h.	PERSON
eurjchem-2386	405	6	sridhar	ORG
eurjchem-2386	405	7	m. a.	PERSON
eurjchem-2386	405	8	khanum	GPE
eurjchem-2386	405	9	s. a.	PERSON
eurjchem-2386	405	10	dft	ORG
eurjchem-2386	405	11	6-chloro-3-[(4chloro-3	CARDINAL
eurjchem-2386	406	1	j. mol	PERSON
eurjchem-2386	406	2	2021	CARDINAL
eurjchem-2386	406	3	1237, 130282	DATE
eurjchem-2386	407	1	44	CARDINAL
eurjchem-2386	408	1	manne, r.	ORG
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