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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-558.675691897; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/PBEPBE/TS TS1NW_PBEPBEPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBECC-PVTZ-848.868970664; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/PBEPBE/TS TS1_PBEPBEPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBECC-PVTZ-558.837663513; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/PBEPBE/TS TS2_PBEPBEPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBECC-PVTZ-558.816314139; 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 TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-772.242715371; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/PBEPBE/TS TS1WW_PBEPBEPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBECC-PVTZ-711.663536498; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/PBEPBE/TS TS2WW_PBEPBEPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBECC-PVTZ-711.648793630; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/PBEPBE/TS TS1N_PBEPBEPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBECC-PVTZ-772.461322317; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbepbe TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-31+G(D,P)-711.453665492; Eh
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