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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-Gd3+-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3244.21971087; Eh
	14-Aug-2024	C60CPH-66-Gd3+-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3244.23704065; Eh
	14-Aug-2024	C60CPH-65-Gd3+-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-3244.20036542; Eh
	8-Nov-2024	69-Rh2-Ac4-CHCF3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1509.44769548; Eh
	14-Aug-2024	C60CPH-66-Gd-Int	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3245.19531879; Eh
	14-Aug-2024	C60CPH-65-Gd-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-3245.17071632; Eh
	14-Aug-2024	C60CPH-66-Gd-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Single point Minimum	UM062X	6-31G(D,P) SDD GENECP	-3245.23258222; Eh
	8-Nov-2024	48-TpF27_Ag_C-Ph-CO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4802.40648299; Eh
	8-Nov-2024	28-TpBr_3Ag_CHCO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1308.31185437; Eh
	8-Nov-2024	30-TpBr_3Ag_CHCO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1308.31020329; Eh

Results 11501-11510 of 12842 (Search time: 0.009 seconds).