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_c60cn_kcn6_nrsCGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-6442.9883179; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn9_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-8521.5442532; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn6_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-6442.9899387; Eh
thumbnail.jpeg28-Aug-2024SP_c60_radicalanion_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUM062X6-311+G(D,P)-2286.0385937; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_ksalt_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2978.7443301; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_freeanionGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2378.8864957; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_nasaltGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2541.0977043; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_radicalGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUM062X6-311+G(D,P)-2378.7113338; Eh
thumbnail.jpeg28-Aug-2024nacndmf4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-1249.38771234; Eh
thumbnail.jpeg28-Aug-2024nacndmf2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-752.296074407; Eh
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