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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Mar-2021N-TS0-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.24863584; Eh
thumbnail.jpeg6-Mar-2021A-TS0-1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.80293022; Eh
thumbnail.jpeg6-Mar-2021N5-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.46742261; Eh
thumbnail.jpeg6-Mar-2021A0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.81336562; Eh
thumbnail.jpeg6-Mar-2021A1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.84616664; Eh
thumbnail.jpeg6-Mar-2021M-TS4-5Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.23303556; Eh
thumbnail.jpeg6-Mar-2021A-TS0-1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.38953615; Eh
thumbnail.jpeg6-Mar-2021A-TS3_-4-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.40721174; Eh
thumbnail.jpeg6-Mar-2021A-TS3-8-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.40993123; Eh
thumbnail.jpeg6-Mar-2021A3_-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.42582511; Eh
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