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- Currently displaying 121 - 140 of 212 publications
Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study
J Chem Phys
(2007)
126
244701
(doi: 10.1063/1.2741540)
Theory of C2Hx species on Pt{110} (1x2): Reaction pathways for dehydrogenation
J Chem Phys
(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
J Am Chem Soc
(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 x 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{110}
Surface Science
(2006)
600
1924
(doi: 10.1016/j.susc.2006.02.033)
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)
Dissociative adsorption and adsorbate-induced reconstruction on Fe{211}
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 x 2): Structure, stability, and thermal chemistry
J Phys Chem B
(2006)
110
4147
(doi: 10.1021/jp055128n)
Stabilizing CO on Au with NO2:: Electronegative species as promoters on coinage metals? -: art. no. 266102
Physical Review Letters
(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 Pt{531} Surface: A combined LEED and DFT study
The journal of physical chemistry. B
(2005)
109
22456
(doi: 10.1021/jp053321b)
Pathways for dissociative ethane chemisorption on Pt{110} (1x2) 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)
