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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Aug-2024	C60CPH-66-La3+-TS	Cui, Chengxing	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	6-31G(D,P) SDD GENECP	-2913.96750174; Eh
	14-Aug-2024	C60CPH-65-La3+-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P) SDD GENECP	-2913.95745891; Eh
	8-Nov-2024	34-TpBrCF3_2Ag_CHCO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3255.09285766; Eh
	8-Nov-2024	40-TpBr_3Ag_C-Ph-CO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1539.41652363; Eh
	8-Nov-2024	35-TpBrCF3_2Ag_CHCO2Et_CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3255.08805816; Eh
	8-Nov-2024	36-TpF27_Ag_CHCO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4571.29961952; Eh
	8-Nov-2024	38-TpF27_Ag_CHCO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4571.29833603; Eh
	8-Nov-2024	39-TpF27_Ag_CHCO2Et_CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4571.29287521; Eh
	8-Nov-2024	37-TpF27Ag_CHCO2Et_CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4571.29819454; Eh
	8-Nov-2024	06-TpBrCF3_2Ag_CHCO2Et-C4H8	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3333.73931811; Eh

Results 11531-11540 of 12948 (Search time: 0.009 seconds).