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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-711.453665492; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P)-345.186275250; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P)-558.729797438; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P)-213.533783939; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P)-76.3569875082; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2NWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-848.625495459; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P)-482.367450678; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-772.242715371; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-635.069918754; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-558.675691897; Eh
Results 1-10 of 48 (Search time: 0.001 seconds).