1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Sep-2024TS(IIIe-IVe)Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPSDD 6-31G(D,P) GENECP-1473.32806200; Eh
Login required11-Sep-2024TS(IIIe-Ve)Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPSDD 6-31G(D,P) GENECP-1473.32613408; Eh
Login required11-Sep-2024VIeRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1473.37000748; Eh
Login required11-Sep-2024VeRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1473.37008663; Eh
thumbnail.jpeg28-Aug-2024SP_tsc120cn_4cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-4664.7647686; Eh
thumbnail.jpeg28-Aug-2024SP_tsc120cn_3cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-4664.772311; Eh
thumbnail.jpeg29-Jul-2024Int2_SM15b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) SDD GENECP-1515.13987134; Eh
thumbnail.jpeg29-Jul-2024Int2_SM15García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) SDD GENECP-1515.11512474; Eh
thumbnail.jpeg29-Jul-2024TSD2aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) SDD GENECP-1090.05345329; Eh
thumbnail.jpeg28-Aug-2024SP_tsc120cn_4c_dissoc_anGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311+G(D,P)-
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