Browsing by Author García, Cristina

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020IGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2712.53262043; Eh
thumbnail.jpeg22-Feb-2020I_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-2713.3563686; Eh
thumbnail.jpeg22-Feb-2020IIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.99506948; Eh
thumbnail.jpeg22-Feb-2020II_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8816734; Eh
thumbnail.jpeg22-Feb-2020IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.99724445; Eh
thumbnail.jpeg22-Feb-2020III_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8813615; Eh
thumbnail.jpeg22-Feb-2020IVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.98482747; Eh
thumbnail.jpeg22-Feb-2020IV_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8716591; Eh
thumbnail.jpeg22-Feb-2020IV_starGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.96753334; Eh
thumbnail.jpeg22-Feb-2020IV_star_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3022.8539781; Eh
thumbnail.jpeg22-Feb-2020IXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.32105072; Eh
thumbnail.jpeg22-Feb-2020IX_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2202819; Eh
thumbnail.jpeg22-Feb-2020mesityleneGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-350.235781599; Eh
thumbnail.jpeg22-Feb-2020mesitylene_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-350.3175755; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET 7García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1877.78424617; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET 7_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1878.1223505; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET IGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1265.63043123; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET I_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1265.8592791; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET VGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1512.54964304; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET V_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1512.8272557; Eh