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- Currently displaying 161 - 180 of 207 publications
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)
– 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{101̄0}
– 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
Minority metallic surface states of a half-metallic ferrimagnet
– Surface Science
(2001)
494,
L793
Comparative theory of missing-row reconstructions: Pt{110}, Pt{211} and Pt{311}
– Surface Science
(2001)
494,
159
Light-Atom Location in Adsorbed Benzene by Experiment and Theory
– Physical Review Letters
(2001)
87,
2161021
Covalent origin of adsorbate-induced demagnetization at ferromagnetic surfaces
– Physical Review B
(2001)
6401,
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)
A Role for Induced Molecular Polarization in Catalytic Promotion: CO Coadsorbed with K on Co{101̄0}
– 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
Adsorbate/substrate bonding in Co{10 1 0}/K-c( 2×2 ) elucidated through first-principles theory
– Chemical Physics Letters
(2000)
317,
372
Pentaprismane and hypostrophene from first-principles, with plane waves
– Chemical Physics Letters
(2000)
317,
381
Characterization of the Ge(001)/Si-(2×1) surface using lattice dynamics
– Physical Review B - Condensed Matter and Materials Physics
(1999)
60,
10648
(doi: 10.1103/PhysRevB.60.10648)
First-principles theoretical studies of the structural, electronic and magnetic properties of Co{1010}-A
– Chemical Physics Letters
(1999)
309,
434
Comparative ab initio pseudopotential studies of (2 x 1) group V overlayers on Si(001)
– Journal of Physics: Condensed Matter
(1999)
10,
7751
(doi: 10.1088/0953-8984/10/35/009)
Theoretical evidence concerning mixed dimer growth on the Si(001)(2 x 1)-Ge surface
– Journal of Physics: Condensed Matter
(1999)
8,
6641
(doi: 10.1088/0953-8984/8/36/016)