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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-65-La-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-2914.98706811; Eh
	14-Aug-2024	C60CPH-65-La-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-2914.91292219; Eh
	14-Aug-2024	C60CPH-66-La-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-2914.91866494; Eh
	14-Aug-2024	La@C60	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-2720.91866673; Eh
	28-Aug-2024	meoh_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-115.719290945; Eh
	28-Aug-2024	meoh_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-115.719395221; Eh
	28-Aug-2024	meoh	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-115.720317782; 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

Results 1021-1030 of 100136 (Search time: 0.003 seconds).