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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Mar-2021N-TS2-3Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.22677181; Eh
thumbnail.jpeg6-Mar-2021N-TS0-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.24863584; Eh
thumbnail.jpeg6-Mar-2021N-TS0-1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.24935431; Eh
thumbnail.jpeg6-Mar-2021N0_-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.45321742; Eh
thumbnail.jpeg6-Mar-2021N0-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.44940369; Eh
thumbnail.jpeg6-Mar-2021N3Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.28561595; Eh
thumbnail.jpeg6-Mar-2021N0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.27723262; Eh
thumbnail.jpeg6-Mar-2021N2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.25682323; Eh
thumbnail.jpeg6-Mar-2021N1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.28967801; Eh
thumbnail.jpeg6-Mar-2021N-TS0_-3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.42693486; Eh
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