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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Dec-2021ch3cooch3-c6h5-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-500.209229006; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-i-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-279.996142720; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3ash2-OTf-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-3238.71064571; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3c6h5-OTf-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1233.29387335; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3OTf-OTs-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1896.64036609; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3nhcho-och2ch3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-363.802664658; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3i-OTf-ts_6311+Gd_ch2lcl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-1013.09525341; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3cf3-OTf-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1339.36893300; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3sh ch3sh-f_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-538.767306490; Eh
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3nhcho-och3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-324.472166002; Eh
Results 6071-6080 of 7358 (Search time: 0.009 seconds).