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_TSE9García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-885.6944234; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan28102_9García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.75604565; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan3671_10García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.75414371; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan3671_11García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.75139077; Eh
thumbnail.jpeg28-Aug-2024AFts_outerscan28102García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.74417499; Eh
thumbnail.jpeg29-Jul-2024SP_TSE5N_OMsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1738.3641087; Eh
thumbnail.jpeg29-Jul-2024SP_TSD3-chairGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.265327; Eh
thumbnail.jpeg29-Jul-2024SP_TSE10García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1114.4268599; Eh
thumbnail.jpeg29-Jul-2024SP_TSB6biso_b_2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1345.5304562; Eh
thumbnail.jpeg29-Jul-2024SP_TSB6biso_bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1345.5307052; Eh
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