Browsing by Author García, Rodrigo

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-2016Ag-ac+HGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---225.08626882; eV
thumbnail.jpeg19-May-2016Ag-acetolGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---226.61233257; eV
thumbnail.jpeg19-May-2016Ag-cleanGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---163.43650831; eV
thumbnail.jpeg19-May-2016Ag-paGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---224.83079151; eV
thumbnail.jpeg19-May-2016Ag-ts1García, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---224.56855351; eV
thumbnail.jpeg19-May-2016Ag-ts2García, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---224.09220494; eV
thumbnail.jpeg19-May-2016Ag2O-2HGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---348.97961589; eV
thumbnail.jpeg19-May-2016Ag2O-ac+HGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---404.75680748; eV
thumbnail.jpeg19-May-2016Ag2O-acetolGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---404.34949381; eV
thumbnail.jpeg19-May-2016Ag2O-cleanGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---340.74979932; eV
thumbnail.jpeg19-May-2016Ag2O-H2OGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---349.58992242; eV
thumbnail.jpeg19-May-2016Ag2O-pa+2HGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---404.20316194; eV
thumbnail.jpeg19-May-2016Ag2O-ts1García, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---403.43886364; eV
thumbnail.jpeg19-May-2016Ag2O-ts2García, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---403.96231389; eV
thumbnail.jpeg19-May-2016Ag2O-ts3García, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---347.94806860; eV
thumbnail.jpeg19-May-2016Ag2O-vacancyGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---335.03055947; eV
thumbnail.jpeg19-May-2016AgOx_Ag(111)-2HGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---194.77313910; eV
thumbnail.jpeg19-May-2016AgOx_Ag(111)-H2OGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---194.44029098; eV
thumbnail.jpeg19-May-2016AgOx_Ag(111)-pa+2HGarcía, Rodrigovasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---249.54110745; eV
thumbnail.jpeg19-May-2016AgOx_Ag(111)-ts3García, Rodrigovasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---193.89510415; eV