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- Currently displaying 161 - 180 of 201 publications
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
2161021
Covalent origin of adsorbate-induced demagnetization at ferromagnetic surfaces - art. no. 012413
Physical Review B Condensed Matter and Materials Physics
(2001)
6401
012413
(doi: 10.1103/physrevb.64.012413)
Symmetry and site selectivity in molecular chemisorption: Benzene on Ni{111}
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
Pentaprismane and hypostrophene from first-principles, with plane waves
Chemical Physics Letters
(2000)
317
381
Adsorbate/substrate bonding in Co{1010}/K-c(2×2) elucidated through first-principles theory
Chemical Physics Letters
(2000)
317
372
Characterization of the (formula presented) surface using lattice dynamics
Physical Review B
(1999)
60
10648
(doi: 10.1103/physrevb.60.10648)
First-principles theoretical studies of the structural, electronic and magnetic properties of Co{10 0}-A
Chemical Physics Letters
(1999)
309
434
An ab initio pseudopotential calculation of ground-state and excited-state properties of gallium nitride
Journal of Physics: Condensed Matter
(1999)
6
8781
(doi: 10.1088/0953-8984/6/42/010)
Theoretical evidence concerning mixed dimer growth on the surface
Journal of Physics Condensed Matter
(1999)
8
6641
(doi: 10.1088/0953-8984/8/36/016)
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)
Vibrational properties of Ge- and Sb-adsorbed Si(001) surfaces
Physical Review B
(1998)
58
10754
(doi: 10.1103/physrevb.58.10754)
A study of atomic vibrations on Si(001)/Sb(2 × 1)
Surface Science
(1998)
402
42
Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25 ML)-c(4 × 4)
Surface Science
(1998)
402
645
Ab-initio density functional calculations for Si(001)/Bi(1ML)-(2x1)
Surface Science
(1998)
402-404
641
Structure and stability of the Si(001)c(4×4)-Sb surface
Physical Review B
(1998)
57
R12701
(doi: 10.1103/physrevb.57.r12701)