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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-31+G(D,P)-711.975998603; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-772.997156072; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-635.651926870; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-559.201735176; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2NWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-849.441885929; Eh
thumbnail.jpeg26-Dec-2022/dispersion_interaction/pro-R TS_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2882.57192247; Eh
thumbnail.jpeg26-Dec-2022/other_bases/DABCO DABCO-proR-1-lowestPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2856.85572566; Eh
thumbnail.jpeg26-Dec-2022/other_bases/NMeMor NMeMor-proS-1-lowestPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2838.62999266; Eh
thumbnail.jpeg26-Dec-2022/other_bases/NMeMor NMeMor-proR-3Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2838.62500366; Eh
thumbnail.jpeg26-Dec-2022/other_bases/DABCO DABCO-proR-2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2856.85483400; Eh
Results 81-90 of 114 (Search time: 0.002 seconds).