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_kcn_9cat_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-6142.6319545; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM9_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1510.7360992; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM9García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1510.7280433; Eh
thumbnail.jpeg29-Jul-2024SP_MsOHGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-664.4418412; Eh
thumbnail.jpeg29-Jul-2024SP_MsOGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-664.0002161; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_radical_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUM062X6-311+G(D,P)-2378.7084826; Eh
thumbnail.jpeg28-Aug-2024SP_c60_nrs_higherepsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2285.9090466; Eh
thumbnail.jpeg28-Aug-2024SP_c60_radicalanionGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUM062X6-311+G(D,P)-2286.048583; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM11b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1284.6006987; Eh
thumbnail.jpeg28-Aug-2024SP_c60_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2285.9087858; Eh
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