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Showing results 21 to 40 of 50 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
31-Mar-2021	/P2BMe24_DMAP C_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-8110.7172528; Eh
31-Mar-2021	/P2BMe24_DMAP D_oss_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-8110.6901803; Eh
31-Mar-2021	/P2BMe24_DMAP D_t_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-8110.6393717; Eh
31-Mar-2021	/P2BMe24_DMAP E_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-7879.2765485; Eh
31-Mar-2021	/P2BMe24_DMAP F_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4930.9589485; Eh
31-Mar-2021	/P2BMe24_DMAP G-H-TS_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-8110.6925985; Eh
31-Mar-2021	/P2BMe24_DMAP G_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-8110.7022496; Eh
31-Mar-2021	/P2BMe24_DMAP H_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-8110.7555084; Eh
31-Mar-2021	/P2BMe24_DMAP I-F-TS_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4930.899646; Eh
31-Mar-2021	/P2BMe24_DMAP I_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4930.8974415; Eh
31-Mar-2021	/P2BMe24_DMAP J_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4699.4802672; Eh
31-Mar-2021	/P2BMe24_DMAP L-DMAP4_M06	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-3179.7325285; Eh
31-Mar-2021	/P2BMe4 A_(M06)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4810.9254021; Eh
31-Mar-2021	/P2BMe4 B_c_(M06)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4810.9316178; Eh
31-Mar-2021	/P2BMe4 B_o_(M06)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4810.9170854; Eh
31-Mar-2021	/P2BMe4 C-D-TS_(M06)_(open_shell_singlet)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.8088068; Eh
31-Mar-2021	/P2BMe4 C-D-TS_(M06)_(triplet)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.7915977; Eh
31-Mar-2021	/P2BMe4 C_(M06)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-5053.821555; Eh
31-Mar-2021	/P2BMe4 D_(M06)_(open_shell_singlet)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.8116635; Eh
31-Mar-2021	/P2BMe4 D_(M06)_(triplet)	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.8093342; Eh

Showing results 21 to 40 of 50 < previous next >