1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2017Cu-2-23García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---171.18770882; eV
thumbnail.jpeg8-May-2017Cu-3-05García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---172.93684318; eV
thumbnail.jpeg8-May-2017Ru-4-03García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexImproved Dimer Method---359.57397555; eV
thumbnail.jpeg8-May-2017Pt-2-20García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---319.18514950; eV
thumbnail.jpeg8-May-2017Cu-7-01García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---140.66323554; eV
thumbnail.jpeg8-May-2017Pt-3-42García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---315.61267975; eV
thumbnail.jpeg8-May-2017Ru-33311García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---375.97260925; eV
thumbnail.jpeg8-May-2017Ru-37202García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---384.27174939; eV
thumbnail.jpeg8-May-2017Cu-9-21García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---144.64590843; eV
thumbnail.jpeg8-May-2017Pt-2-07García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---331.84336450; eV
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