1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jul-2024SP_TS2_SM11isoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1284.5763469; Eh
thumbnail.jpeg29-Jul-2024SP_TS2_SM11García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1284.5789277; Eh
thumbnail.jpeg28-Aug-2024SP_nacndmf4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-1249.1399187; Eh
thumbnail.jpeg28-Aug-2024SP_nacndmf5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-1497.6301395; Eh
thumbnail.jpeg28-Aug-2024SP_nacndmf3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-1000.6506465; Eh
thumbnail.jpeg28-Aug-2024SP_nacndmfGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-503.666138; Eh
thumbnail.jpeg28-Aug-2024SP_nacnGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-255.1770517; Eh
thumbnail.jpeg29-Jul-2024SP_preTSE5N_OMsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1738.3884034; Eh
thumbnail.jpeg29-Jul-2024SP_preTSE5NGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1303.0951143; Eh
thumbnail.jpeg29-Jul-2024SP_preTSE10García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1114.452431; Eh
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