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_TSF3cisoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.2608288; Eh
thumbnail.jpeg29-Jul-2024SP_TSF3cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.2611777; Eh
thumbnail.jpeg29-Jul-2024SP_TSE5N-CCGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.3067416; Eh
thumbnail.jpeg29-Jul-2024SP_TSE5cNGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.299283; Eh
thumbnail.jpeg29-Jul-2024SP_TSE5NGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1303.0741015; Eh
thumbnail.jpeg29-Jul-2024SP_TSE5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.2985089; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan28102_2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76974075; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan28102_12García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.74418600; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan28102_1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76996260; Eh
thumbnail.jpeg29-Jul-2024SP_TSE3b-chairGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.3086576; Eh
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