Theoretical Surface Spectroscopy of NO on the Pt(111) Surface with the DAM (Dipped Adcluster Model) and the SAC-CI (Symmetry-Adapted-Cluster Configuration-Interaction) Method

Theoretical surface spectroscopy for NO on the Pt(111) surface is carried out and combined with the experimentally known facts to elucidate the structures, absorption sites, absorption energies and K-shell binding energies of NO adsorbates on the surface. The electronic structures were studied by us...

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Veröffentlicht in:	Journal of chemical theory and computation 2005-03, Vol.1 (2), p.239-247
Hauptverfasser:	Nakatsuji, Hiroshi, Matsumune, Norihiko, Kuramoto, Kei
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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