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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Mar-2021A3_-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.42582511; Eh
thumbnail.jpeg6-Mar-2021A8-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.44037822; Eh
thumbnail.jpeg6-Mar-2021A6_-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1418.04019925; Eh
thumbnail.jpeg6-Mar-2021A6-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1418.04100491; Eh
thumbnail.jpeg6-Mar-2021M2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.64764348; Eh
thumbnail.jpeg6-Mar-2021M1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.67874428; Eh
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
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