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_Int2_SM10_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1232.4103945; Eh
thumbnail.jpeg28-Aug-2024SP_c60García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2285.9099886; Eh
thumbnail.jpeg28-Aug-2024pbe1pbeSP_c120_c_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE6-311+G(D,P)-4568.406553; Eh
thumbnail.jpeg28-Aug-2024pbe1pbeSP_c60_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE6-311+G(D,P)-2284.1864127; Eh
thumbnail.jpeg29-Jul-2024SP_E4b-flatGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.3631499; Eh
thumbnail.jpeg29-Jul-2024SP_E4cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.3117869; Eh
thumbnail.jpeg28-Aug-2024m062xLLTSP_c120_c_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-31+G(D,P)-4571.0041325; Eh
thumbnail.jpeg28-Aug-2024m062xD3LLTSP_c60_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-31+G(D,P)-2285.5009248; Eh
thumbnail.jpeg28-Aug-2024m062xD3SP_c60_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2285.9168991; Eh
thumbnail.jpeg28-Aug-2024m062xD3SP_c120_c_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311+G(D,P)-4571.86363418; Eh
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