id	sid	eid	entity	type
can-1416	1	1	2022	CARDINAL
can-1416	1	2	5	CARDINAL
can-1416	1	3	1 doi:10.24294	MONEY
can-1416	1	4	39	CARDINAL
can-1416	1	5	hua zhao1,2	PERSON
can-1416	1	6	tian1	ORG
can-1416	1	7	suna wang1	PERSON
can-1416	1	8	dezhi sun1	GPE
can-1416	1	9	chong zhang1* 1	ORG
can-1416	1	10	liaocheng university	ORG
can-1416	1	11	252059	DATE
can-1416	1	12	china	GPE
can-1416	2	1	zhangchong@lcu.edu.cn 2chemistry	ORG
can-1416	2	2	wei shan no.1	PERSON
can-1416	2	3	277600	DATE
can-1416	2	4	china article	ORG
can-1416	2	5	28	CARDINAL
can-1416	2	6	november 2021	DATE
can-1416	2	7	5	CARDINAL
can-1416	2	8	18	CARDINAL
can-1416	2	9	2022	CARDINAL
can-1416	2	10	hua zhao et al	PERSON
can-1416	3	1	llc	ORG
can-1416	4	1	4.0	CARDINAL
can-1416	5	1	https://creativecommons.org/licenses/bync/4.0/	ORG
can-1416	5	2	ea	CARDINAL
can-1416	5	3	bc2n-nts	ORG
can-1416	6	1	4	DATE
can-1416	6	2	5	DATE
can-1416	6	3	6	CARDINAL
can-1416	6	4	n, n	ORG
can-1416	6	5	bc2n-nts	ORG
can-1416	9	1	one	CARDINAL
can-1416	14	1	three	CARDINAL
can-1416	14	2	4	DATE
can-1416	14	3	5	DATE
can-1416	14	4	6	CARDINAL
can-1416	14	5	40	CARDINAL
can-1416	15	1	2	CARDINAL
can-1416	15	2	bc2n-nts	ORG
can-1416	15	3	bn-nts	ORG
can-1416	15	4	4	DATE
can-1416	15	5	5	DATE
can-1416	15	6	6	CARDINAL
can-1416	17	1	haddon	PERSON
can-1416	18	1	1c	CARDINAL
can-1416	18	2	3	CARDINAL
can-1416	19	1	1c	CARDINAL
can-1416	21	1	bc2n-nts	ORG
can-1416	21	2	1b	CARDINAL
can-1416	21	3	1b	CARDINAL
can-1416	22	1	3	CARDINAL
can-1416	22	2	3	CARDINAL
can-1416	22	3	1a	CARDINAL
can-1416	23	1	1a	CARDINAL
can-1416	23	2	only two	CARDINAL
can-1416	24	1	1	CARDINAL
can-1416	24	2	2	CARDINAL
can-1416	24	3	2	CARDINAL
can-1416	24	4	3	CARDINAL
can-1416	25	1	bc2n-nts	ORG
can-1416	25	2	bn-nts	ORG
can-1416	25	3	4	DATE
can-1416	25	4	5	DATE
can-1416	25	5	6	CARDINAL
can-1416	25	6	8	CARDINAL
can-1416	25	7	1	CARDINAL
can-1416	26	1	bc2n-nts	ORG
can-1416	27	1	3	CARDINAL
can-1416	27	2	3,3	CARDINAL
can-1416	27	3	3,3	CARDINAL
can-1416	27	4	3,3	CARDINAL
can-1416	27	5	1	CARDINAL
can-1416	27	6	three	CARDINAL
can-1416	28	1	3.1	CARDINAL
can-1416	28	2	millikan	ORG
can-1416	28	3	bc2n-nts	ORG
can-1416	28	4	bn-nts	ORG
can-1416	28	5	4	DATE
can-1416	28	6	5	DATE
can-1416	28	7	6	CARDINAL
can-1416	29	1	1	CARDINAL
can-1416	29	2	millikan	FAC
can-1416	29	3	2	CARDINAL
can-1416	30	1	1	CARDINAL
can-1416	30	2	bc2n-nts	ORG
can-1416	30	3	bn-nts	ORG
can-1416	30	4	3	CARDINAL
can-1416	30	5	4 or 5	DATE
can-1416	31	1	3	CARDINAL
can-1416	31	2	3	CARDINAL
can-1416	31	3	am1	ORG
can-1416	31	4	4.110	CARDINAL
can-1416	31	5	4.241	CARDINAL
can-1416	31	6	4.321	CARDINAL
can-1416	33	1	1	CARDINAL
can-1416	33	2	3	CARDINAL
can-1416	33	3	3	CARDINAL
can-1416	33	4	1.453	CARDINAL
can-1416	33	5	c2-c3	ORG
can-1416	33	6	1.427	CARDINAL
can-1416	33	7	c2-c3	ORG
can-1416	34	1	0.022 å	PERSON
can-1416	35	1	two	CARDINAL
can-1416	35	2	1.428	CARDINAL
can-1416	35	3	1.427 å	MONEY
can-1416	35	4	41	CARDINAL
can-1416	37	1	3	CARDINAL
can-1416	37	2	1	CARDINAL
can-1416	37	3	3	CARDINAL
can-1416	37	4	1.508	CARDINAL
can-1416	37	5	1.504	CARDINAL
can-1416	40	1	1	CARDINAL
can-1416	40	2	3	CARDINAL
can-1416	40	3	4	CARDINAL
can-1416	40	4	4	DATE
can-1416	40	5	5	CARDINAL
can-1416	40	6	5	DATE
can-1416	40	7	6	CARDINAL
can-1416	40	8	6	DATE
can-1416	40	9	4.110	CARDINAL
can-1416	40	10	5.487	CARDINAL
can-1416	40	11	6.776	CARDINAL
can-1416	40	12	8.147	CARDINAL
can-1416	40	13	1.428	CARDINAL
can-1416	40	14	1.413	CARDINAL
can-1416	40	15	1.407	CARDINAL
can-1416	40	16	1.404	CARDINAL
can-1416	40	17	c2-c3	ORG
can-1416	40	18	1.453	CARDINAL
can-1416	40	19	1.446	CARDINAL
can-1416	40	20	1.443	CARDINAL
can-1416	40	21	1.441	CARDINAL
can-1416	44	1	2	CARDINAL
can-1416	44	2	4	DATE
can-1416	44	3	5	DATE
can-1416	44	4	6	CARDINAL
can-1416	44	5	bc2n-nts	ORG
can-1416	44	6	am1	LOC
can-1416	46	1	c3	PERSON
can-1416	46	2	3	CARDINAL
can-1416	46	3	0.2246	GPE
can-1416	46	4	0.3563	CARDINAL
can-1416	46	5	4	CARDINAL
can-1416	46	6	5	CARDINAL
can-1416	46	7	5	DATE
can-1416	46	8	6	CARDINAL
can-1416	47	1	2	CARDINAL
can-1416	47	2	bc2n-nts	ORG
can-1416	48	1	0.2246	MONEY
can-1416	48	2	two	CARDINAL
can-1416	49	1	1	CARDINAL
can-1416	49	2	4	DATE
can-1416	49	3	5	DATE
can-1416	49	4	6	CARDINAL
can-1416	49	5	bc2n-nts	ORG
can-1416	49	6	am1 method/å	ORG
can-1416	49	7	bc2n-nts bn-nts	ORG
can-1416	49	8	c2-c3 n1-c2 c2-c3 n1-b4 n1	ORG
can-1416	49	9	3	CARDINAL
can-1416	49	10	3	CARDINAL
can-1416	49	11	4.110	CARDINAL
can-1416	49	12	1.427	CARDINAL
can-1416	49	13	1.479	CARDINAL
can-1416	49	14	1.508 1.504	CARDINAL
can-1416	49	15	4	CARDINAL
can-1416	49	16	4	DATE
can-1416	49	17	5.487 1.413 1.446	MONEY
can-1416	49	18	5	CARDINAL
can-1416	49	19	5	DATE
can-1416	50	1	6.776	CARDINAL
can-1416	50	2	6.986	CARDINAL
can-1416	50	3	1.453	CARDINAL
can-1416	50	4	1.487 1.490	CARDINAL
can-1416	50	5	6	CARDINAL
can-1416	50	6	8.147	CARDINAL
can-1416	50	7	1.441	MONEY
can-1416	50	8	1.405	CARDINAL
can-1416	50	9	2	CARDINAL
can-1416	50	10	mulliken	PERSON
can-1416	50	11	4	DATE
can-1416	50	12	5	DATE
can-1416	50	13	6	CARDINAL
can-1416	50	14	bc2n-nts	ORG
can-1416	50	15	bc2n-nts bn-nts	ORG
can-1416	50	16	c1 c2 c3 n1 c2 c3	PERSON
can-1416	50	17	3	CARDINAL
can-1416	50	18	3	CARDINAL
can-1416	50	19	5	CARDINAL
can-1416	50	20	9	CARDINAL
can-1416	50	21	5	CARDINAL
can-1416	50	22	2	CARDINAL
can-1416	50	23	2	CARDINAL
can-1416	50	24	4	CARDINAL
can-1416	50	25	4	DATE
can-1416	51	1	8	CARDINAL
can-1416	52	1	4	CARDINAL
can-1416	52	2	9	CARDINAL
can-1416	52	3	9	CARDINAL
can-1416	52	4	5	CARDINAL
can-1416	52	5	5	DATE
can-1416	53	1	3	CARDINAL
can-1416	53	2	3	CARDINAL
can-1416	53	3	3	CARDINAL
can-1416	53	4	6	CARDINAL
can-1416	53	5	5	CARDINAL
can-1416	53	6	5	CARDINAL
can-1416	54	1	4	CARDINAL
can-1416	54	2	5	CARDINAL
can-1416	54	3	5 −0.000 0.69 0.74 42	MONEY
can-1416	54	4	two	CARDINAL
can-1416	54	5	one	CARDINAL
can-1416	54	6	two	CARDINAL
can-1416	54	7	1b	CARDINAL
can-1416	56	1	2	CARDINAL
can-1416	56	2	approximately zero	CARDINAL
can-1416	56	3	bc2n	GPE
can-1416	56	4	0.69	CARDINAL
can-1416	56	5	0.74 e.	PERSON
can-1416	56	6	three	CARDINAL
can-1416	56	7	three	CARDINAL
can-1416	56	8	3.2	CARDINAL
can-1416	56	9	bc2n-nts	ORG
can-1416	56	10	bn-nts	ORG
can-1416	56	11	three	CARDINAL
can-1416	57	1	c)–zhf (n	ORG
can-1416	59	1	2	CARDINAL
can-1416	60	1	2	CARDINAL
can-1416	61	1	2	CARDINAL
can-1416	63	1	2	CARDINAL
can-1416	63	2	4	DATE
can-1416	63	3	5	DATE
can-1416	63	4	6	CARDINAL
can-1416	63	5	3.3	CARDINAL
can-1416	63	6	ea	CARDINAL
can-1416	63	7	ea	CARDINAL
can-1416	63	8	two	CARDINAL
can-1416	64	1	ea	CARDINAL
can-1416	65	1	ea	CARDINAL
can-1416	65	2	bc2n-nts	ORG
can-1416	65	3	bn-nts	ORG
can-1416	65	4	4	DATE
can-1416	65	5	5	DATE
can-1416	65	6	6	CARDINAL
can-1416	65	7	3	CARDINAL
can-1416	66	1	3	CARDINAL
can-1416	66	2	ea	CARDINAL
can-1416	67	1	3	CARDINAL
can-1416	67	2	3	CARDINAL
can-1416	67	3	3	CARDINAL
can-1416	67	4	ea	CARDINAL
can-1416	68	1	3,3	CARDINAL
can-1416	68	2	ea	CARDINAL
can-1416	69	1	3	CARDINAL
can-1416	69	2	13.64	CARDINAL
can-1416	69	3	3,3	CARDINAL
can-1416	69	4	7.39 ev	PERCENT
can-1416	69	5	5.42 ev	MONEY
can-1416	71	1	3	CARDINAL
can-1416	71	2	2.09	CARDINAL
can-1416	71	3	3	CARDINAL
can-1416	71	4	6	CARDINAL
can-1416	71	5	6	DATE
can-1416	71	6	3	CARDINAL
can-1416	71	7	6	CARDINAL
can-1416	71	8	6	DATE
can-1416	72	1	0.11	CARDINAL
can-1416	72	2	3	CARDINAL
can-1416	72	3	6	CARDINAL
can-1416	72	4	only 0.02	CARDINAL
can-1416	73	1	bc2n-nts	ORG
can-1416	76	1	3.4	CARDINAL
can-1416	76	2	nonparallel π orbitals	ORG
can-1416	77	1	bc2n-nts	ORG
can-1416	79	1	bc2n-nts	ORG
can-1416	79	2	bn-nts	ORG
can-1416	79	3	4	DATE
can-1416	79	4	5	DATE
can-1416	79	5	6	CARDINAL
can-1416	79	6	4	CARDINAL
can-1416	79	7	spb	ORG
can-1416	79	8	σ	ORG
can-1416	79	9	2i	CARDINAL
can-1416	79	10	3	CARDINAL
can-1416	80	1	ea	CARDINAL
can-1416	80	2	4	DATE
can-1416	80	3	5	DATE
can-1416	80	4	6	CARDINAL
can-1416	80	5	bc2n-nts	ORG
can-1416	80	6	am1	LOC
can-1416	80	7	bc2n-nts bn-nts	ORG
can-1416	80	8	ea	CARDINAL
can-1416	80	9	ea	CARDINAL
can-1416	80	10	ea	CARDINAL
can-1416	80	11	3,3	CARDINAL
can-1416	80	12	0.14 5.42	CARDINAL
can-1416	81	1	0.82 7.39	CARDINAL
can-1416	81	2	3.52 13.64	CARDINAL
can-1416	81	3	4,4	CARDINAL
can-1416	81	4	0.40 5.96	CARDINAL
can-1416	81	5	0.93 7.43 −10.04	MONEY
can-1416	81	6	3.65 13.69	CARDINAL
can-1416	81	7	5,5	CARDINAL
can-1416	81	8	0.23	CARDINAL
can-1416	82	1	1.02 7.35	CARDINAL
can-1416	82	2	3.72 13.69	CARDINAL
can-1416	82	3	6,6	CARDINAL
can-1416	82	4	3.33	CARDINAL
can-1416	82	5	10.3 7.28	CARDINAL
can-1416	83	1	13.66	CARDINAL
can-1416	83	2	4	CARDINAL
can-1416	83	3	4	DATE
can-1416	83	4	5	DATE
can-1416	83	5	6	CARDINAL
can-1416	83	6	bc2n-nts	ORG
can-1416	84	1	sap spb p	ORG
can-1416	84	2	2i	CARDINAL
can-1416	84	3	3	CARDINAL
can-1416	84	4	4	CARDINAL
can-1416	84	5	4	DATE
can-1416	84	6	0.033 2	CARDINAL
can-1416	84	7	5	CARDINAL
can-1416	84	8	5	DATE
can-1416	84	9	0.024	CARDINAL
can-1416	84	10	2.074	CARDINAL
can-1416	84	11	0.010 6	CARDINAL
can-1416	84	12	6	CARDINAL
can-1416	84	13	3	CARDINAL
can-1416	84	14	0.046 9 0.055 1	TIME
can-1416	84	15	4	CARDINAL
can-1416	84	16	4	DATE
can-1416	84	17	0.026 9	DATE
can-1416	84	18	3	CARDINAL
can-1416	84	19	2.118	CARDINAL
can-1416	84	20	8 (	DATE
can-1416	84	21	5	CARDINAL
can-1416	84	22	5	DATE
can-1416	84	23	0.015 4	CARDINAL
can-1416	84	24	5	CARDINAL
can-1416	84	25	6	CARDINAL
can-1416	84	26	0.010 4	CARDINAL
can-1416	84	27	8 2.040 4	QUANTITY
can-1416	84	28	3	CARDINAL
can-1416	84	29	3	CARDINAL
can-1416	84	30	4	CARDINAL
can-1416	84	31	4	DATE
can-1416	84	32	0.024	CARDINAL
can-1416	84	33	5,5	CARDINAL
can-1416	84	34	0.015 1	CARDINAL
can-1416	84	35	6,6	CARDINAL
can-1416	84	36	0.010	CARDINAL
can-1416	84	37	2i	CARDINAL
can-1416	85	1	44	CARDINAL
can-1416	86	1	4	CARDINAL
can-1416	86	2	bc2n-nts	ORG
can-1416	87	1	3	CARDINAL
can-1416	87	2	3	DATE
can-1416	88	1	3	CARDINAL
can-1416	88	2	0.0853	CARDINAL
can-1416	88	3	0.0683	ORG
can-1416	88	4	spb	ORG
can-1416	88	5	22,561	CARDINAL
can-1416	88	6	2.2049	CARDINAL
can-1416	88	7	0.0339	CARDINAL
can-1416	88	8	0.0275	ORG
can-1416	89	1	3	CARDINAL
can-1416	89	2	3	CARDINAL
can-1416	90	1	bc2n-nts	ORG
can-1416	91	1	3	CARDINAL
can-1416	91	2	0.0170	CARDINAL
can-1416	91	3	0.0512	GPE
can-1416	91	4	0.0064	CARDINAL
can-1416	91	5	6	CARDINAL
can-1416	91	6	0.0009	CARDINAL
can-1416	91	7	0.0026	CARDINAL
can-1416	91	8	0.0004	CARDINAL
can-1416	92	1	the π π	ORG
can-1416	93	1	4	CARDINAL
can-1416	93	2	bc2n-nts	ORG
can-1416	93	3	σ	ORG
can-1416	93	4	spb	ORG
can-1416	94	1	bc2n-nts	ORG
can-1416	95	1	4.	CARDINAL
can-1416	95	2	ea	CARDINAL
can-1416	95	3	4	DATE
can-1416	95	4	5	DATE
can-1416	95	5	6	CARDINAL
can-1416	97	1	bc2n-nts	ORG
can-1416	98	1	two	CARDINAL
can-1416	100	1	china	GPE
can-1416	100	2	2080105	DATE
can-1416	100	3	shandong province	GPE
can-1416	100	4	shandong	GPE
can-1416	100	5	shandong	GPE
can-1416	100	6	sdyc10044	PERSON
can-1416	101	1	1	CARDINAL
can-1416	101	2	lijima s.	PERSON
can-1416	102	1	1991	DATE
can-1416	102	2	354	CARDINAL
can-1416	102	3	56–58	CARDINAL
can-1416	103	1	2	CARDINAL
can-1416	103	2	bethune ds	PERSON
can-1416	103	3	kiang ch	PERSON
can-1416	103	4	45	CARDINAL
can-1416	104	1	1993	DATE
can-1416	104	2	36	CARDINAL
can-1416	104	3	605–607	CARDINAL
can-1416	105	1	3	CARDINAL
can-1416	105	2	ichihashi si	PERSON
can-1416	105	3	1	CARDINAL
can-1416	106	1	1993	DATE
can-1416	106	2	36	CARDINAL
can-1416	106	3	603–604	CARDINAL
can-1416	107	1	4	CARDINAL
can-1416	107	2	dresselhuas g	PERSON
can-1416	108	1	london	GPE
can-1416	108	2	imperial college press	ORG
can-1416	108	3	1998	DATE
can-1416	109	1	5	CARDINAL
can-1416	109	2	dresselhuas ms	PERSON
can-1416	109	3	dresselhuas g	PERSON
can-1416	111	1	san diego	GPE
can-1416	111	2	1996	DATE
can-1416	112	1	6	CARDINAL
can-1416	112	2	odom tw	PERSON
can-1416	112	3	huang j	PERSON
can-1416	112	4	kim p	PERSON
can-1416	113	1	one	CARDINAL
can-1416	114	1	2000	CARDINAL
can-1416	114	2	104	CARDINAL
can-1416	114	3	2794–2809	CARDINAL
can-1416	115	1	elena g	PERSON
can-1416	115	2	gal’pern	PERSON
can-1416	115	3	vladimir v	PERSON
can-1416	115	4	one	CARDINAL
can-1416	116	1	1997	DATE
can-1416	116	2	101	CARDINAL
can-1416	117	1	705–709	CARDINAL
can-1416	117	2	8	CARDINAL
can-1416	117	3	x.	GPE
can-1416	118	1	2000	DATE
can-1416	118	2	17	CARDINAL
can-1416	118	3	107–114	CARDINAL
can-1416	118	4	9	CARDINAL
can-1416	119	1	jalili s	PERSON
can-1416	119	2	schofield j.	PERSON
can-1416	119	3	bc3	ORG
can-1416	120	1	2012	DATE
can-1416	120	2	116	CARDINAL
can-1416	120	3	13225–13230	CARDINAL
can-1416	120	4	10	CARDINAL
can-1416	121	1	zhang z	PERSON
can-1416	121	2	zheng w	PERSON
can-1416	121	3	jiang q.	PERSON
can-1416	121	4	dft	ORG
can-1416	122	1	2012	DATE
can-1416	122	2	37	CARDINAL
can-1416	122	3	5090–5099	CARDINAL
can-1416	122	4	11	CARDINAL
can-1416	123	1	saikia	ORG
can-1416	123	2	deka rc	PERSON
can-1416	124	1	first	ORDINAL
can-1416	124	2	5	CARDINAL
can-1416	124	3	5	DATE
can-1416	124	4	8	CARDINAL
can-1416	125	1	computational & theoretical	ORG
can-1416	125	2	2012	DATE
can-1416	125	3	996	CARDINAL
can-1416	125	4	11–20	CARDINAL
can-1416	125	5	12	CARDINAL
can-1416	126	1	song g	PERSON
can-1416	126	2	shao	PERSON
can-1416	127	1	liaocheng university	ORG
can-1416	127	2	2008	DATE
can-1416	127	3	21	CARDINAL
can-1416	127	4	55–57	CARDINAL
can-1416	128	1	li	PERSON
can-1416	129	1	xu h,	ORG
can-1416	129	2	yuan s.	PERSON
can-1416	130	1	liaocheng university	ORG
can-1416	130	2	2001	DATE
can-1416	130	3	14	CARDINAL
can-1416	130	4	41–43	CARDINAL
can-1416	131	1	14	CARDINAL
can-1416	134	1	wallingford	GPE
can-1416	134	2	1998	DATE
can-1416	135	1	15	CARDINAL
can-1416	135	2	haddon rc	PERSON
can-1416	136	1	1986	DATE
can-1416	136	2	58	CARDINAL
can-1416	136	3	137–142	CARDINAL
can-1416	138	1	zhang y, gu h	PERSON
can-1416	138	2	suenaga k	PERSON
can-1416	139	1	1997	DATE
can-1416	139	2	279	CARDINAL
can-1416	139	3	264–269	CARDINAL
can-1416	139	4	17	CARDINAL
can-1416	140	1	suenagac k	PERSON
can-1416	142	1	1997	DATE
can-1416	142	2	278	CARDINAL
can-1416	142	3	653–655	CARDINAL
can-1416	144	1	liu	PERSON
can-1416	144	2	cohen m. atomic	PERSON
can-1416	144	3	bc2n	ORG
can-1416	145	1	1989	DATE
can-1416	145	2	39	CARDINAL
can-1416	145	3	1760–1765	CARDINAL
can-1416	146	1	19	CARDINAL
can-1416	146	2	miyamoto y	PERSON
can-1416	146	3	cohen m	PERSON
can-1416	147	1	matter 1994	DATE
can-1416	147	2	50	CARDINAL
can-1416	147	3	4976–4979	CARDINAL
can-1416	148	1	chen z	PERSON
can-1416	148	2	ma k	PERSON
can-1416	148	3	c60−2x(bn)x(x	ORG
can-1416	148	4	1−3	CARDINAL
can-1416	148	5	1999	DATE
can-1416	148	6	466	CARDINAL
can-1416	148	7	127–135	CARDINAL
can-1416	148	8	21	CARDINAL
can-1416	149	1	mickelson w	PERSON
can-1416	149	2	han w	GPE
can-1416	150	1	2003	DATE
can-1416	150	2	300	CARDINAL
can-1416	150	3	467–469	CARDINAL