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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Dec-2023/opt TS2Sharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1352.51293984; Eh
thumbnail.jpeg6-Dec-2023/opt TS3Sharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1352.52444369; Eh
thumbnail.jpeg6-Dec-2023/opt TS1Sharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1352.51746196; Eh
thumbnail.jpeg6-Dec-2023/opt TS4Sharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1352.51324728; Eh
thumbnail.jpeg6-Dec-2023/opt TS1d_IsoSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1123.33865845; Eh
thumbnail.jpeg6-Dec-2023/opt TS2_IsoSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1123.38501213; Eh
thumbnail.jpeg6-Dec-2023/opt TS4d_IsoSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1123.35777819; Eh
thumbnail.jpeg6-Dec-2023/opt TS5_IsoSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1123.32460663; Eh
thumbnail.jpeg6-Dec-2023/opt TS6_IsoSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1123.31792938; Eh
thumbnail.jpeg6-Dec-2023/opt TS1_IsoSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1123.34262315; Eh
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