Browsing by Author Lopez Resano, Sara

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Sep-2022/Cationic_system add-+-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G* GENECP-3069.31335396; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i1-+-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-2195.08417358; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i3-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3002.70533507; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i4-+-ossLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G* GENECP-2759.62091532; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i4-+sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-2759.61376956; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i4-+s-freqLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ 6-31G* GENECP-2759.61376956; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i4-+tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G* GENECP-2759.62576613; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i4-+t-freqLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ 6-31G* GENECP-2759.62576613; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i5-+-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3069.36815786; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i5-+-s-freqLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ 6-31G* GENECP-3069.36815786; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i5-+-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G* GENECP-3069.35074909; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i5-+-t-freqLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ 6-31G* GENECP-3069.35074909; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i6-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3069.39713595; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i7-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-4186.70239308; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i9-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3312.38870215; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS34-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G* GENECP-3002.67947322; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS45-+-oss-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G* GENECP-3069.30832395; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS45-+-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G* GENECP-3069.30422104; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS45-+-t-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G* GENECP-3069.31036871; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS56-+-s-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G* GENECP-3069.36275786; Eh