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_acoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-228.6978055; Eh
thumbnail.jpeg28-Aug-2024c120cn_2_kcn4_nrsBGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-7343.92629591; Eh
thumbnail.jpeg28-Aug-2024c120cn_2_kcn4_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-7343.92571869; Eh
thumbnail.jpeg28-Aug-2024c120_prec_radan_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D)-4572.68793691; Eh
thumbnail.jpeg29-Jul-2024SP_A2a_b_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1321.4033096; Eh
thumbnail.jpeg29-Jul-2024SP_A1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-944.690824; Eh
thumbnail.jpeg29-Jul-2024SM9García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-565.910654814; Eh
thumbnail.jpeg29-Jul-2024SM14bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-115.717533455; Eh
thumbnail.jpeg29-Jul-2024SM8García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-232.435064997; Eh
thumbnail.jpeg29-Jul-2024SM7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-157.230614050; Eh
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