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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS3-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.47820123; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS6_HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.50691896; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS7-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.47457262; 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
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-c6h5-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-422.648516415; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cf3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-528.725445019; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cn-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-283.863055056; Eh
Results 21-30 of 1155 (Search time: 0.002 seconds).