1. Institute of Chemical Research of Catalonia

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Showing results 1 to 20 of 1569  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2017Cu-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---135.16319013; eV
thumbnail.jpeg8-May-2017Cu-0021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---139.36967512; eV
thumbnail.jpeg8-May-2017Cu-0101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---132.14361821; eV
thumbnail.jpeg8-May-2017Cu-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---139.40924752; eV
thumbnail.jpeg8-May-2017Cu-0211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---143.00428870; eV
thumbnail.jpeg8-May-2017Cu-1-02García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---181.00366803; eV
thumbnail.jpeg8-May-2017Cu-1-03García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---181.26451714; eV
thumbnail.jpeg8-May-2017Cu-1-04García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---180.62139366; eV
thumbnail.jpeg8-May-2017Cu-1-05García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---167.84693467; eV
thumbnail.jpeg8-May-2017Cu-1-07García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---174.74386775; eV
thumbnail.jpeg8-May-2017Cu-1-08García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---174.45906515; eV
thumbnail.jpeg8-May-2017Cu-1-09García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---174.36067518; eV
thumbnail.jpeg8-May-2017Cu-1-10García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---174.24676931; eV
thumbnail.jpeg8-May-2017Cu-1001García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---134.99769425; eV
thumbnail.jpeg8-May-2017Cu-1011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---144.30363785; eV
thumbnail.jpeg8-May-2017Cu-1021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---151.55049658; eV
thumbnail.jpeg8-May-2017Cu-1101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---139.85849786; eV
thumbnail.jpeg8-May-2017Cu-1111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---147.05575191; eV
thumbnail.jpeg8-May-2017Cu-1112García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---146.78725878; eV
thumbnail.jpeg8-May-2017Cu-1122García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---154.80809164; eV
Showing results 1 to 20 of 1569  next >