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- Currently displaying 161 - 180 of 213 publications
Chapter 8 Spin-polarised surfaces: Current state of density functional theory investigations
(2004)
15
261
Step-Enhanced Selectivity of NO Reduction on Platinum-Group Metals
Journal of the American Chemical Society
(2003)
125
14660
(doi: 10.1021/ja0372208)
Step-Enhanced Selectivity of NO Reduction on Platinum-Group Metals
Journal of the American Chemical Society
(2003)
125
14660
(doi: 10.1021/ja0372208)
First principles studies of chemisorbed O on Ni{111}
Surface Science
(2003)
543
12
(doi: 10.1016/j.susc.2003.08.002)
First-principles theory and microcalorimetry of CO adsorption on the { 211 } surfaces of Pt and Ni
Surface Science
(2003)
538
171
Theory of NO/K phase mixing, separation and catalytic promoter action on Co{101̄0}
Surface Science
(2003)
529
312
A tilt-dependent diffusional potential energy landscape: benzyne on Ir{100}
Chemical Physics Letters
(2003)
367
116
Long-range ordering of methylidyne on Pt(110)(1 × 2)
The Journal of Chemical Physics
(2002)
117
3951
(doi: 10.1063/1.1483847)
Origin and consequences of aromatic back-bonding at a transition metal surface: Benzyne on Ir{100}
The Journal of Chemical Physics
(2002)
117
819
(doi: 10.1063/1.1483064)
Theory of CO adsorption on Co {10(1)over-bar0}
Surface Science
(2002)
504
138
Theory of CO adsorption on Co{101̄0}
Surface Science
(2002)
504
138
Formation of interface states on a half-metal surface
Surface Science
(2002)
501
L185
Comparative theory of missing-row reconstructions: Pt{110}, Pt{211} and Pt{311}
Surface Science
(2001)
494
159
Minority metallic surface states of a half-metallic ferrimagnet
Surface Science
(2001)
494
l793
Light-atom location in adsorbed benzene by experiment and theory.
Physical Review Letters
(2001)
8721
216102-216102-4
Covalent origin of adsorbate-induced demagnetization at ferromagnetic surfaces
Physical Review B
(2001)
64
124131
(doi: 10.1103/PhysRevB.64.012413)
Symmetry and site selectivity in molecular chemisorption: Benzene on Ni{111}
The Journal of Chemical Physics
(2001)
114
5765
(doi: 10.1063/1.1353856)
Selling philosophy
PHYSICS WORLD
(2001)
14
80
A role for induced molecular polarization in catalytic promotion: CO coadsorbed with K on Co{10(1)over-bar-0}
Journal of the American Chemical Society
(2000)
122
10610
(doi: 10.1021/ja0004985)
Localisation of adsorbate-induced demagnetisation: CO chemisorbed on Ni{110}
Chemical Physics Letters
(2000)
327
125