1. Institute of Chemical Research of Catalonia

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Showing results 50694 to 50713 of 50798 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Oct-2022/Zn dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--3.22536551; eV
Login required24-Oct-2022/Zn relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT-4.76587966; eV
Login required24-Oct-2022/Zn relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3.24585630; eV
Login required24-Oct-2022/Zn scMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--3.23448830; eV
thumbnail.jpeg11-Feb-2019Zn-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--53.85841374; eV
thumbnail.jpeg21-Jun-2017Zn-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---61.06921578; eV
thumbnail.jpeg21-Jun-2017Zn-0021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---65.01857516; eV
thumbnail.jpeg21-Jun-2017Zn-0101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---56.78228462; eV
thumbnail.jpeg21-Jun-2017Zn-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---64.69913529; eV
thumbnail.jpeg21-Jun-2017Zn-0211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---68.27673781; eV
thumbnail.jpeg21-Jun-2017Zn-1001García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---60.13042737; eV
thumbnail.jpeg21-Jun-2017Zn-1011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---68.81477215; eV
thumbnail.jpeg21-Jun-2017Zn-1021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---76.87290603; eV
thumbnail.jpeg21-Jun-2017Zn-1101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---64.87985214; eV
thumbnail.jpeg21-Jun-2017Zn-1111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---72.12514951; eV
thumbnail.jpeg21-Jun-2017Zn-1112García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---71.27544648; eV
thumbnail.jpeg21-Jun-2017Zn-1121García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---80.95109711; eV
thumbnail.jpeg21-Jun-2017Zn-1122García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---79.80230683; eV
thumbnail.jpeg21-Jun-2017Zn-1201García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---68.95272603; eV
thumbnail.jpeg21-Jun-2017Zn-1211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---76.21573386; eV
Showing results 50694 to 50713 of 50798 < previous   next >