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- Currently displaying 121 - 140 of 199 publications
Ridge-bridge adsorption of molecular oxygen on Pt{110}(1 x 2) from first principles
J Phys Chem 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)
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 × 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?
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 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{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)
Origin and activity of oxidized gold in water-gas-shift catalysis
Physical Review Letters
(2005)
94
Pathways for Dissociative Methane Chemisorption on Pt110(1x2)
Physical Review B
(2005)
71
113410
(doi: 10.1103/PhysRevB.71.113410)
Theoretical stoichiometry and surface states of a semi-Heusler alloy
(2005)
678
245
(doi: 10.1007/11417255_15)
The Limits to Spin-Polarization in Finite-Temperature Half-Metallic Ferromagnets
(2005)
295
(doi: 10.1007/3-540-27284-4_11)
Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin
Physical Review B Condensed Matter and Materials Physics
(2004)
70
245401
(doi: 10.1103/physrevb.70.245401)
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
ChemInform
(2004)
35
no
(doi: 10.1002/chin.200445018)
Role of nanostructured dual-oxide supports in enhanced catalytic activity: Theory of CO oxidation over Au/IrO2/TiO2
Physical Review Letters
(2004)
93
1
Role of Nanostructured Dual-Oxide Supports in Enhanced Catalytic Activity: Theory of CO Oxidation Over Au/IrO2/TiO2
Phys Rev Lett
(2004)
93
156102
