1. Institute of Chemical Research of Catalonia

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Showing results 18176 to 18195 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Jan-2020/G09/UO2_OH_xH2O/UO2_4H2O UO2_4H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1009.12465216; Eh
thumbnail.jpeg4-Sep-2023G1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1100.66629042; Eh
thumbnail.jpeg29-Jun-2020g102101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--22.96335279; eV
thumbnail.jpeg30-Jun-2020g102101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--22.96335279; eV
thumbnail.jpeg29-Jun-2020g121101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--22.14151752; eV
thumbnail.jpeg30-Jun-2020g121101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--22.14151752; eV
thumbnail.jpeg29-Jun-2020g122101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--29.89745074; eV
thumbnail.jpeg30-Jun-2020g122101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--29.89745074; eV
thumbnail.jpeg29-Jun-2020g140101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--24.05709091; eV
thumbnail.jpeg30-Jun-2020g140101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--24.05709091; eV
thumbnail.jpeg29-Jun-2020g141101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--30.24400579; eV
thumbnail.jpeg30-Jun-2020g141101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--30.24400579; eV
thumbnail.jpeg29-Jun-2020g200101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--9.51041771; eV
thumbnail.jpeg30-Jun-2020g200101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--9.51041771; eV
thumbnail.jpeg29-Jun-2020g202101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--28.56998976; eV
thumbnail.jpeg30-Jun-2020g202101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--28.56998976; eV
thumbnail.jpeg29-Jun-2020g220102García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--22.95723557; eV
thumbnail.jpeg30-Jun-2020g220102García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--22.95723557; eV
thumbnail.jpeg29-Jun-2020g221101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--30.95924805; eV
thumbnail.jpeg30-Jun-2020g221101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--30.95924805; eV
Showing results 18176 to 18195 of 63047 < previous   next >