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_SM13García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-116.6981215; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_4_nrs_higherepsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2771.3772556; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_3cat_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-1985.5205854; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_4cat_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2678.3790583; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_2_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-1385.6658789; Eh
thumbnail.jpeg28-Aug-2024SP_kcn_3_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2078.506297; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM6b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1293.7763274; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM6García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1293.75941; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_nasalt_dmfGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2789.5892512; Eh
thumbnail.jpeg28-Aug-2024SP_c60cn_ksalt_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2978.7443301; Eh
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