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- Currently displaying 121 - 140 of 211 publications
Lifting of Ir{100} reconstruction by CO adsorption:: An ab initio study
– The Journal of chemical physics
(2007)
126,
244701
(doi: 10.1063/1.2741540)
Theory of C2Hx species on Pt{110} (1x2):: Reaction pathways for dehydrogenation
– The Journal of Chemical Physics
(2007)
126,
044710
(doi: 10.1063/1.2429068)
Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study
(2007)
An unexpected pathway for the catalytic oxidation of methylidyne on Rh{111} as a route to syngas
– Journal of the American Chemical Society
(2007)
129,
1751
(doi: 10.1021/ja067722w)
Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects
– Surface Science
(2006)
600,
224
(doi: 10.1016/j.susc.2006.05.053)
Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects
– Surface Science
(2006)
600,
224
(doi: 10.1016/j.susc.2006.05.053)
Ridge-Bridge Adsorption of Molecular Oxygen on Pt{110}(1 × 2) from First Principles
– The journal of physical chemistry. B
(2006)
110,
11962
(doi: 10.1021/jp057447k)
The local adsorption geometry and electronic structure of alanine on Cu{1 1 0}
– Surface Science
(2006)
600,
1924
(doi: 10.1016/j.susc.2006.02.033)
The local adsorption geometry and electronic structure of alanine on Cu{110}
– Surface Science
(2006)
600,
1924
(doi: 10.1016/j.susc.2006.02.033)
Dissociative adsorption and adsorbate-induced reconstruction on Fe{2 1 1}
– Surface Science
(2006)
600,
1431
(doi: 10.1016/j.susc.2005.12.064)
Comment on: New electron states that float on semiconductor and metal surfaces [Surf. Sci. 585 (2005) L177]
– Surface Science
(2006)
600,
1415
(doi: 10.1016/j.susc.2005.11.039)
Theory of C2Hx Species on Pt{110}(1 × 2): Structure, Stability, and Thermal Chemistry
– The journal of physical chemistry. B
(2006)
110,
4147
(doi: 10.1021/jp055128n)
Stabilizing CO on Au with NO2:: Electronegative species as promoters on coinage metals? -: art. no. 266102
– Phys Rev Lett
(2005)
95,
266102
Origins of catalytic activity in oxide-supported gold: Ultra-small particles and fungiform nanostructures
– ACS National Meeting Book of Abstracts
(2005)
230,
The limits to spin-polarization in finite-temperature half-metallic ferromagnets
(2005)
295
(doi: 10.1007/3-540-27284-4_11)
The structure of the chiral Pt531 surface: a combined LEED and DFT study.
– Journal of Physical Chemistry B
(2005)
109,
22456
(doi: 10.1021/jp053321b)
Pathways for dissociative ethane chemisorption on Pt{1 1 0} (1 × 2) using density functional theory
– Chemical Physics Letters
(2005)
413,
289
(doi: 10.1016/j.cplett.2005.07.074)
Catalyst-induced changes in a substituted aromatic: A combined approach via experiment and theory
– Surface Science
(2005)
589,
173
(doi: 10.1016/j.susc.2005.05.056)
Origins of catalytic activity in oxide-supported gold: Ultra-small particles and fungiform nanostructures
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
230,
U2960
The symmetry and structure of crystalline surfaces
– Surface Science
(2005)
585,
l159
(doi: 10.1016/j.susc.2005.04.006)