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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Mar-2021M0_-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.83333442; Eh
thumbnail.jpeg6-Mar-2021M1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.85307912; Eh
thumbnail.jpeg6-Mar-2021M2-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.85099370; Eh
thumbnail.jpeg6-Mar-2021M5-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.26166950; Eh
thumbnail.jpeg6-Mar-2021N0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.27723262; 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-2021N3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.43387109; Eh
thumbnail.jpeg6-Mar-2021A0-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.39562201; Eh
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