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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Mar-2021M4Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1494.25860627; Eh
thumbnail.jpeg6-Mar-2021M-TS0-1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1415.64263579; Eh
thumbnail.jpeg6-Mar-2021M1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.67874428; Eh
thumbnail.jpeg6-Mar-2021M-TS0-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1415.64178204; Eh
thumbnail.jpeg6-Mar-2021M2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.64764348; Eh
thumbnail.jpeg6-Mar-2021M-TS2_-3Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1415.62088337; Eh
thumbnail.jpeg6-Mar-2021M2_Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.64500495; Eh
thumbnail.jpeg6-Mar-2021M3Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.68205880; Eh
thumbnail.jpeg6-Mar-2021M0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.66992718; Eh
thumbnail.jpeg6-Mar-2021M-TS4-5Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.23303556; Eh
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