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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-och2ch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-532.197538320; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-och3-ts_6311+Gd180Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-492.868830967; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-cf3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-715.439410774; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3f-cl-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-600.161538760; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3f-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-239.791035202; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-oh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-453.560260186; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-sch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-815.857934686; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-sh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-776.541242007; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-390.925604267; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3f-och2ch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-294.372399117; Eh
Results 1-10 of 1857 (Search time: 0.001 seconds).