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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cn-seh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2535.02246550; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3och3-seh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2557.31461686; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3sch3-seh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2880.31129659; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-br-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-2455.38327059; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-cl-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2902.43506741; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-i-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-2453.59583837; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-oh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2518.00763746; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-seh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-4844.33672298; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-sh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2840.99393396; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-och2ch3-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2596.64341874; Eh
Results 61-70 of 2188 (Search time: 0.003 seconds).