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_nadmfGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-410.6968501; Eh
thumbnail.jpeg29-Jul-2024SP_SM15isoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-570.7188881; Eh
thumbnail.jpeg29-Jul-2024SP_SM15García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-570.7270376; Eh
thumbnail.jpeg29-Jul-2024SP_SM1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-376.7202957; Eh
thumbnail.jpeg29-Jul-2024SP_SM2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-360.7253189; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_5cat_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-3371.2286215; Eh
thumbnail.jpeg29-Jul-2024SP_P2bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-477.4990264; Eh
thumbnail.jpeg29-Jul-2024SP_P2cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-477.4843221; Eh
thumbnail.jpeg29-Jul-2024SP_P3aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-519.9856658; Eh
thumbnail.jpeg28-Aug-2024SP_cndmfGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-341.4387009; Eh
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