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_acohdimerGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-458.3706777; Eh
thumbnail.jpeg29-Jul-2024SP_ac2ohGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-382.256868; Eh
thumbnail.jpeg29-Jul-2024SP_ac2oGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-381.8643645; Eh
thumbnail.jpeg29-Jul-2024SP_acoh2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-229.559935; Eh
thumbnail.jpeg29-Jul-2024SP_acohGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-229.1742029; Eh
thumbnail.jpeg28-Aug-2024c120cn_2_kcn4_radan_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D)-7344.04795041; Eh
thumbnail.jpeg28-Aug-2024c120cn_2_ksalt_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-5265.40444411; Eh
thumbnail.jpeg28-Aug-2024c120cn_2_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-4665.54039264; Eh
thumbnail.jpeg28-Aug-2024c120cn_4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-4665.52615783; Eh
thumbnail.jpeg28-Aug-2024c120cn_3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-4665.53435842; Eh
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