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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2022	5-7a	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3546.22280205; Eh
10-Nov-2022	TS10	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-3546.20185825; Eh
10-Nov-2022	9_	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3546.21026435; Eh
10-Nov-2022	9	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3033.64634402; Eh
10-Nov-2022	5-7b	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4496.24369569; Eh
10-Nov-2022	3-7b	Liu, Lin	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4382.87189070; Eh
10-Nov-2022	TS16	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4496.24977409; Eh
10-Nov-2022	TS14	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4382.86960946; Eh
10-Nov-2022	R3	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-2803.07874718; Eh
10-Nov-2022	P3	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-952.734549571; Eh

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