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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2022	3-R2a	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1465.17740799; Eh
10-Nov-2022	11	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1691.93149460; Eh
10-Nov-2022	TS17	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1578.48485619; Eh
10-Nov-2022	TS18	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1691.85068886; Eh
10-Nov-2022	TS20	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1465.15125258; Eh
10-Nov-2022	22	Liu, Lin	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2471.45481171; Eh
10-Nov-2022	TS22	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2520.37223232; Eh
10-Nov-2022	COM4-6b	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4382.87835284; Eh
10-Nov-2022	L1CuCl	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-961.308976882; Eh
10-Nov-2022	B2pin2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-508.031060965; Eh

Results 31-40 of 87 (Search time: 0.001 seconds).