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Browsing by Author Xu, Jihong

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Showing results 41 to 60 of 61 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Oct-2022	/M06_calculations TS12	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2438.29846823; Eh
18-Oct-2022	/M06_calculations TS13	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-3474.02212030; Eh
18-Oct-2022	/M06_calculations TS14	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2929.06837412; Eh
18-Oct-2022	/M06_calculations TS15	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.88255659; Eh
18-Oct-2022	/M06_calculations TS2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-1990.99294545; Eh
18-Oct-2022	/M06_calculations TS2base-1	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2361.71110322; Eh
18-Oct-2022	/M06_calculations TS2base-2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2361.74354213; Eh
18-Oct-2022	/M06_calculations TS3	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-1991.00529699; Eh
18-Oct-2022	/M06_calculations TS4	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2438.31386946; Eh
18-Oct-2022	/M06_calculations TS5	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-3474.02339480; Eh
18-Oct-2022	/M06_calculations TS6a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.89114181; Eh
18-Oct-2022	/M06_calculations TS6b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2451.72818627; Eh
18-Oct-2022	/M06_calculations TS7a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.89750070; Eh
18-Oct-2022	/M06_calculations TS7b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2451.74351996; Eh
18-Oct-2022	/M06_calculations TS8a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.89060172; Eh
18-Oct-2022	/M06_calculations TS8a1	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.87672536; Eh
18-Oct-2022	/M06_calculations TS8a2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.87444108; Eh
18-Oct-2022	/M06_calculations TS8a3	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.88694641; Eh
18-Oct-2022	/M06_calculations TS8b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2451.72709207; Eh
18-Oct-2022	/M06_calculations TS9a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.92632809; Eh

Showing results 41 to 60 of 61 < previous next >