Shape_control_in_gold_nanoparticles_by_N-containing_ligands

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Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-1-49
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegpyridine-on-Au(100)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----320.60770352; eV
thumbnail.jpeganiline-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----337.91091816; eV
thumbnail.jpegethylenediamine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----314.10077393; eV
thumbnail.jpegtrimethylamine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----322.43543768; eV
thumbnail.jpegporphine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----655.26478864; eV
thumbnail.jpegporphine-on-Au(111)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----662.74461533; eV
thumbnail.jpegporphine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----833.56833829; eV
thumbnail.jpeganiline-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----344.71072503; eV
thumbnail.jpegethylenediamine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----318.27991635; eV
thumbnail.jpegpyrazine-on-Au(110)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----322.11123205; eV
thumbnail.jpeganiline-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----342.20418109; eV
thumbnail.jpegethylenediamine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----320.86208062; eV
thumbnail.jpegpyrrole-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----318.60749816; eV
thumbnail.jpegpyridine-on-Au(110)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----327.24156995; eV
thumbnail.jpegtrimethylamine-on-Au(100)_Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----318.13315599; eV
thumbnail.jpegtrimethylamine-on-Au(110)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----324.79855851; eV
thumbnail.jpegpyrrole-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----316.20260566; eV
thumbnail.jpegpyridine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----324.94436048; eV
thumbnail.jpegpyrrole_on_Au(100)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----311.87719575; eV
thumbnail.jpegpyrazine-on-Au(111)Shahrokhi, Masoudvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization----319.98480756; eV
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