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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-2021N-TS0_-3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.42693486; Eh
thumbnail.jpeg6-Mar-2021N-TS3-4-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.40023121; Eh
thumbnail.jpeg6-Mar-2021N-TS0-1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.43281357; Eh
thumbnail.jpeg6-Mar-2021N-TS1_-2-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.44311440; Eh
thumbnail.jpeg6-Mar-2021A-TS3-8-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.40993123; Eh
thumbnail.jpeg6-Mar-2021A-TS0-3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.39017145; Eh
thumbnail.jpeg6-Mar-2021A-TS0-1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.38953615; Eh
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