Browsing by Author Shahrokhi, Masoud

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-20172H-Pd(111)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---151.03168724; eV
thumbnail.jpeg1-Dec-20172H-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---246.94334126; eV
thumbnail.jpeg9-Oct-2017aniline-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---337.91091816; 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-2017aniline-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---342.20418109; eV
thumbnail.jpeg1-Dec-2017C2H2-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---175.08167454; eV
thumbnail.jpeg1-Dec-2017C2H2-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---269.93387533; eV
thumbnail.jpeg1-Dec-2017C2H4-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---175.56063660; eV
thumbnail.jpeg1-Dec-2017C2H4-Pd3S((202)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---271.59821954; eV
thumbnail.jpeg1-Dec-2017C2H5-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---183.04556141; eV
thumbnail.jpeg1-Dec-2017C2H5-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---275.42469307; eV
thumbnail.jpeg1-Dec-2017C2H6-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---183.39841942; eV
thumbnail.jpeg1-Dec-2017C2H6-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---280.22213158; eV
thumbnail.jpeg1-Dec-2017C4H4-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---334.96272933; eV
thumbnail.jpeg1-Dec-2017CHCH2-Pd(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---175.25087195; eV
thumbnail.jpeg1-Dec-2017CHCH2-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---271.13655746; eV
thumbnail.jpeg1-Dec-2017CHCH3-Pd(111)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---178.11425518; eV
thumbnail.jpeg1-Dec-2017CHCH3-Pd3S(202)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---271.47188467; 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-2017ethylenediamine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---320.86208062; eV