Publications
A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1)
Computer Physics Communications
(2004)
161
151
(doi: 10.1016/j.cpc.2004.05.002)
Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1)
Computer Physics Communications
(2004)
161
166
(doi: 10.1016/j.cpc.2004.05.003)
Driving forces for self-organized coadsorption:: C6-H6/2O and C6-H6/2CO on Ni{111}
J Am Chem Soc
(2004)
126
10962
(doi: 10.1021/ja048589y)
Car exhaust catalysis from first principles: selective NO reduction under excess O2 conditions on Ir.
Journal of the American Chemical Society
(2004)
126
10746
(doi: 10.1021/ja0481833)
Evidence for a nitrogen-induced reconstruction of Fe {111}
Surface Science
(2004)
562
226
(doi: 10.1016/j.susc.2004.06.045)
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer
Journal of the American Chemical Society
(2004)
126
7336
(doi: 10.1021/ja049126c)
Density functional theory study of the interaction of monomeric water with the Ag{111} surface -: art. no. 205411
Physical Review B
(2004)
69
205411
(doi: 10.1103/physrevb.69.205411)
Why Is Silver Catalytically Active for NO Reduction? A Unique Pathway via an Inverted (NO)2 Dimer
Journal of the American Chemical Society
(2004)
126
7336
(doi: 10.1021/ja049126c)
Reply to `Comment on `Modelling pattern formation in CO+O2 on Pt{100}”
Chemical Physics Letters
(2004)
390
305
(doi: 10.1016/j.cplett.2004.03.122)
Femtosecond pump/probe spectroscopy of CO on Ru{1010} from experimental and theoretical perspectives
Journal of Physical Chemistry B
(2004)
108
14311
(doi: 10.1021/jp049679+)
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