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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2024	52-TpBr_3Ag_C-pC6H4-CF3-CO2CH2CF3_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2174.15944640; Eh
	8-Nov-2024	53-TpBr_3Ag_C-pC6H4-CF3-CO2CH2CF3_CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2174.13482154; Eh
	8-Nov-2024	50-TpF27_Ag_C-Ph-CO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4802.40531987; Eh
	8-Nov-2024	49-k2-TpF27Ag_C-Ph-CO2Et_CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4802.38117110; Eh
	8-Nov-2024	51-TpF27_Ag_C-Ph-CO2Et_CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4802.37967504; Eh
	2-Aug-2024	ebe_exc	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD; TD-FC	CC-PVDZ GEN	-2297.74590842; Eh
	2-Aug-2024	eqe_1e	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	CC-PVDZ GEN	-1977.07767530; Eh
	14-Aug-2024	C60CPH-66-La3+-Int	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P) SDD GENECP	-2913.98745322; Eh
	14-Aug-2024	C60CPH-66-La3+-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P) SDD GENECP	-2914.00237136; Eh
	14-Aug-2024	C60CPH-65-La3+-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P) SDD GENECP	-2913.97326011; Eh

Results 11521-11530 of 12948 (Search time: 0.009 seconds).