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Browsing by Author Xu, Jihong

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Showing results 21 to 40 of 61 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Oct-2022	/M06_calculations IM11	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2438.33169940; Eh
18-Oct-2022	/M06_calculations IM12	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-3026.74874299; Eh
18-Oct-2022	/M06_calculations IM13	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-3474.02999229; Eh
18-Oct-2022	/M06_calculations IM14	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2929.09795406; Eh
18-Oct-2022	/M06_calculations IM15	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2929.08268732; Eh
18-Oct-2022	/M06_calculations IM2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-1991.04795267; Eh
18-Oct-2022	/M06_calculations IM3	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-1991.03389543; Eh
18-Oct-2022	/M06_calculations IM4	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-1991.00728298; Eh
18-Oct-2022	/M06_calculations IM5	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2438.32230635; Eh
18-Oct-2022	/M06_calculations IM6	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2438.34248638; Eh
18-Oct-2022	/M06_calculations IM7	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-3474.08612313; Eh
18-Oct-2022	/M06_calculations IM8	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2756.62288679; Eh
18-Oct-2022	/M06_calculations IM9	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2361.74245049; Eh
18-Oct-2022	/M06_calculations iPr2NEt	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D)	-370.729363961; Eh
18-Oct-2022	/M06_calculations Pd(PPh3)2	Xu, Jihong	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RM06	GENECP	-
18-Oct-2022	/M06_calculations PPh3	Xu, Jihong	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RM06	6-31G(D)	-
18-Oct-2022	/M06_calculations TS1	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-3026.69158134; Eh
18-Oct-2022	/M06_calculations TS10a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.93650317; Eh
18-Oct-2022	/M06_calculations TS10b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2451.78106729; Eh
18-Oct-2022	/M06_calculations TS11	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2756.58760518; Eh

Showing results 21 to 40 of 61 < previous next >