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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe BenzanaldehydePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-345.186275250; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe NButylaminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-213.533783939; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-76.3569875082; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe HemiaminalPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-558.729797438; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-482.367450678; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2Pérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-558.675691897; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-635.069918754; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-772.242715371; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-848.625495459; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2WWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-711.453665492; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima Benzaldehyde_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-345.280040803; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima NButylamine_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-213.588447580; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima Water_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-76.3797445488; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima Hemiaminal_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-558.878567773; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima Imine_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-482.491386152; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts W_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-152.769777769; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts A_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-421.669540220; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts N_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-289.984534112; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts N_N_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-427.186219813; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts A_N_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-558.877023574; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts W_W_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-229.167793209; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts A_W_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-498.060978462; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts N_W_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-366.380695398; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts N_N_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-503.582602636; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Adducts A_N_W_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-635.268255757; Eh
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