1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Aug-2024SP_c120cn_2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311+G(D,P)-
thumbnail.jpeg28-Aug-2024nacnform4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-934.895545800; Eh
thumbnail.jpeg28-Aug-2024SP_c120_aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-4571.7704766; Eh
thumbnail.jpeg28-Aug-2024SP_c120_bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-4571.8068994; Eh
thumbnail.jpeg29-Jul-2024SP_E6bN-NONPROTODEMETGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1073.9228012; Eh
thumbnail.jpeg29-Jul-2024SP_E5NGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1073.905617; Eh
thumbnail.jpeg29-Jul-2024SP_E4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.3596; Eh
thumbnail.jpeg29-Jul-2024SP_E5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-885.7035888; Eh
thumbnail.jpeg29-Jul-2024SP_E6García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-885.2353343; Eh
thumbnail.jpeg28-Aug-2024m06LLTSP_c60_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G(D,P)-2284.6466191; Eh
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