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_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-692.8163616; Eh
thumbnail.jpeg28-Aug-2024SP_k_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-599.8385765; Eh
thumbnail.jpeg29-Jul-2024SP_P2aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-477.5006119; Eh
thumbnail.jpeg29-Jul-2024SP_P1cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-288.8266174; Eh
thumbnail.jpeg29-Jul-2024SP_P1aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-288.8585582; Eh
thumbnail.jpeg29-Jul-2024SP_P1bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-288.8596403; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM15b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1515.4517905; Eh
thumbnail.jpeg28-Aug-2024SP_kc60_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2885.7485029; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM15b2_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1515.4418821; Eh
thumbnail.jpeg28-Aug-2024SP_dmfGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-248.4802133; Eh
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