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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-204.218252636; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cl-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-651.270498256; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-oh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-266.849277840; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-290.901697975; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-nhcho-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-360.354022253; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-och2ch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-345.485491134; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-sch2ch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-668.472722342; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-sch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-629.146706245; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-oTs-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1085.98005338; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-sh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-589.831178423; Eh
Results 1-10 of 1857 (Search time: 0.001 seconds).