1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jul-2024SP_preTSB10biso_deprotGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1345.5683974; Eh
thumbnail.jpeg29-Jul-2024SP_postTSE5N_OMsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1738.3675644; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn4_nrs_higherepsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-5057.2962269; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn6_nrsBGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-6442.984266; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn4_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-5057.2886096; Eh
thumbnail.jpeg29-Jul-2024SP_F3-chairGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.2678241; Eh
thumbnail.jpeg29-Jul-2024SP_F3cisoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.308692; Eh
thumbnail.jpeg29-Jul-2024SP_F3cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.3100236; Eh
thumbnail.jpeg29-Jul-2024SP_F3dGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.3099491; Eh
thumbnail.jpeg28-Aug-2024SP_c120cn_2_kcn2_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311+G(D,P)-
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