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Browsing by Author Xu, Jihong

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Oct-2022	/M06_calculations 1a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D)	-730.846925044; Eh
18-Oct-2022	/M06_calculations 1b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D)	-460.690310045; Eh
18-Oct-2022	/M06_calculations 2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D)	-447.270027695; Eh
18-Oct-2022	/M06_calculations 3a	Xu, Jihong	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RM06	6-31G(D)	-
18-Oct-2022	/M06_calculations 3a_	Xu, Jihong	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RM06	6-31G(D)	-
18-Oct-2022	/M06_calculations 3b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D)	-730.891519237; Eh
18-Oct-2022	/M06_calculations A_	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2579.47798233; Eh
18-Oct-2022	/M06_calculations B	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-3026.77197395; Eh
18-Oct-2022	/M06_calculations BQ	Xu, Jihong	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RM06	6-31G(D)	-
18-Oct-2022	/M06_calculations Ca	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.90522924; Eh
18-Oct-2022	/M06_calculations Cb	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2451.74418206; Eh
18-Oct-2022	/M06_calculations Da	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.91220341; Eh
18-Oct-2022	/M06_calculations Db	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2451.75974126; Eh
18-Oct-2022	/M06_calculations Ea	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.96569829; Eh
18-Oct-2022	/M06_calculations Eb	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2451.81648368; Eh
18-Oct-2022	/M06_calculations F	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2756.60961692; Eh
18-Oct-2022	/M06_calculations Ga	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.96816275; Eh
18-Oct-2022	/M06_calculations Gb	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2451.82219735; Eh
18-Oct-2022	/M06_calculations IM1	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-3026.75938383; Eh
18-Oct-2022	/M06_calculations IM10	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2438.31645834; Eh

Showing results 1 to 20 of 61 next >