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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3br-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-66.4305993210; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3oh-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-127.243816232; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3cl-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-600.156879710; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3oh-oh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-191.646679773; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3i-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-62.8654822777; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3sch2ch3-cl-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-977.731010555; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3sch2ch3-cn-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-610.322380413; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3sch2ch3-cf3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-855.185331034; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3sch2ch3-f-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-617.357282185; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3cl-och3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-615.394679546; Eh
Results 6201-6210 of 6834 (Search time: 0.006 seconds).