1. Institute of Chemical Research of Catalonia

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Showing results 1 to 20 of 2471  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Mar-2024A1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-905.209831685; Eh
Login required26-Mar-2024A2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1213.62891760; Eh
Login required26-Mar-2024A2bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1213.64490739; Eh
Login required26-Mar-2024A2cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1213.63999928; Eh
Login required26-Mar-2024A3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1213.68366070; Eh
Login required26-Mar-2024A3-TGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-1213.63718868; Eh
Login required26-Mar-2024A4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1522.11381365; Eh
Login required26-Mar-2024A4-TGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-1522.06662750; Eh
Login required26-Mar-2024A4bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1830.54121806; Eh
Login required26-Mar-2024A4isoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1522.10289721; Eh
Login required26-Mar-2024A5b-SGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GENECP-1522.05710647; Eh
Login required26-Mar-2024A5b-TGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-1522.07094941; Eh
Login required26-Mar-2024A5endoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1522.14033242; Eh
Login required26-Mar-2024A5exoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1522.14606368; Eh
Login required26-Mar-2024A6García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1522.25361862; Eh
Login required26-Mar-2024A7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GEN-925.444021649; Eh
Login required26-Mar-2024A8García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GEN-925.323813940; Eh
thumbnail.jpeg21-Jun-2017Ag-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---130.92252505; eV
thumbnail.jpeg21-Jun-2017Ag-0021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---135.32307615; eV
thumbnail.jpeg21-Jun-2017Ag-0101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---128.61518009; eV
Showing results 1 to 20 of 2471  next >