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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Dec-2021ch3cooch3-cooch3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-497.135254883; Eh
thumbnail.jpeg9-Dec-2021ch3cooh-cooh-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-418.468480105; Eh
thumbnail.jpeg9-Dec-2021ch3cooh-br-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-242.448414666; Eh
thumbnail.jpeg9-Dec-2021crystalNaOCH3_ts_Cl_acetonitrileMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1407.07403838; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-oTs-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1163.54055378; Eh
thumbnail.jpeg9-Dec-2021ch3cooh-och2ch3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-383.698825450; Eh
thumbnail.jpeg9-Dec-2021ch3cooh-sh-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-628.057997866; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-ph2-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-611.113506479; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-br-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-281.780778416; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-och2ch3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-250.916837745; Eh
Results 6061-6070 of 7358 (Search time: 0.009 seconds).