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_2cat_dmf2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-914.374669; Eh
thumbnail.jpeg28-Aug-2024SP_nacn_2cat_dmfGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-665.8856489; Eh
thumbnail.jpeg29-Jul-2024SP_P3bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-519.9853873; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_4_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2771.3700285; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM8b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1177.2322549; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM7b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1101.9731331; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM6_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1293.7675627; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM7_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1101.9657032; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1101.9587702; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_kcn6_nrsCGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-6442.9883179; Eh
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