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_nacn_2catGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-417.39647; Eh
thumbnail.jpeg29-Jul-2024SP_P4cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-708.6056556; Eh
thumbnail.jpeg29-Jul-2024SP_P4aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-708.62565; Eh
thumbnail.jpeg29-Jul-2024SP_P4bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-708.6168296; Eh
thumbnail.jpeg29-Jul-2024SP_P3cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-519.9477925; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn2_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-3671.5847893; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn3_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-4364.4318757; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_freeanion_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2378.875502; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_freeanionGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2378.8864957; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM10b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1232.4172486; Eh
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