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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Oct-2017porphine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---833.56833829; eV
thumbnail.jpeg9-Oct-2017pyrazine-on-Au(110)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---322.11123205; eV
thumbnail.jpeg9-Oct-2017pyridine-on-Au(110)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---327.24156995; eV
thumbnail.jpeg9-Oct-2017pyrrole-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---318.60749816; eV
thumbnail.jpeg9-Oct-2017aniline-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---342.20418109; eV
thumbnail.jpeg9-Oct-2017aniline-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---344.71072503; eV
thumbnail.jpeg9-Oct-2017ethylenediamine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---314.10077393; eV
thumbnail.jpeg9-Oct-2017trimethylamine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---322.43543768; eV
thumbnail.jpeg9-Oct-2017porphine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---655.26478864; eV
thumbnail.jpeg9-Oct-2017pyridine-on-Au(100)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---320.60770352; eV
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