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- Currently displaying 161 - 180 of 200 publications
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)
87
216102
Selling philosophy
PHYSICS WORLD
(2001)
14
80
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}
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 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 x 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{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 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)
Structure and stability of the Si(001)c(4×4)-Sb surface
Physical Review B
(1998)
57
R12701
(doi: 10.1103/physrevb.57.r12701)
Ab-initio density functional calculations for Si(001)/Bi(1ML)-(2×1)
Surface Science
(1998)
404
641
Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4x4)
Surface Science
(1998)
402
645
A study of atomic vibrations on Si(001)/Sb(2×1)
Surface Science
(1998)
404
42
Structure and energetics of segregated and nonsegregated Ge(001)/Si(2×1)
Physical Review B Condensed Matter and Materials Physics
(1998)
57
8794
(doi: 10.1103/physrevb.57.8794)
