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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Oct-2017trimethylamine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---318.13315599; eV
thumbnail.jpeg9-Oct-2017trimethylamine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---324.79855851; eV
thumbnail.jpeg9-Oct-2017pyrazine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---319.98480756; eV
thumbnail.jpeg9-Oct-2017pyrazine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---315.64994714; eV
thumbnail.jpeg9-Oct-2017pyridine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---324.94436048; eV
thumbnail.jpeg9-Oct-2017pyrrole-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---316.20260566; eV
thumbnail.jpeg9-Oct-2017pyrrole_on_Au(100)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---311.87719575; eV
thumbnail.jpeg9-Oct-2017ethylenediamine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---318.27991635; eV
thumbnail.jpeg9-Oct-2017ethylenediamine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---320.86208062; eV
thumbnail.jpeg9-Oct-2017porphine-on-Au(111)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---662.74461533; eV
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