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Showing results 21 to 40 of 68 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
4-Jun-2018	14DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1855.23767832; Eh
4-Jun-2018	14F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2007.57055818; Eh
4-Jun-2018	15DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1855.22881541; Eh
4-Jun-2018	15F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2007.56551436; Eh
4-Jun-2018	16F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1893.09125919; Eh
4-Jun-2018	17F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2293.82125993; Eh
4-Jun-2018	18DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-249.524949038; Eh
4-Jun-2018	19DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2255.95568138; Eh
4-Jun-2018	19F	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2408.28675018; Eh
4-Jun-2018	20DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2255.94878953; Eh
4-Jun-2018	20F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2408.27321344; Eh
4-Jun-2018	21DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2255.92882216; Eh
4-Jun-2018	21F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2408.26890842; Eh
4-Jun-2018	Aniline	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-287.409166788; Eh
4-Jun-2018	Dimethylamine	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-135.070343757; Eh
4-Jun-2018	DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-248.370882384; Eh
4-Jun-2018	Formaldehyde	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-114.446492431; Eh
4-Jun-2018	Formanilide_cis	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-400.696773606; Eh
4-Jun-2018	Formanilide_trans	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-400.696112956; Eh
4-Jun-2018	H2	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1.16903935556; Eh

Showing results 21 to 40 of 68 < previous next >