相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Chemical accuracy for the van der Waals density functional
Jiri Klimes et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle
P. Lazic et al.
PHYSICAL REVIEW B (2010)
Comparative van der Waals density-functional study of graphene on metal surfaces
Ikutaro Hamada et al.
PHYSICAL REVIEW B (2010)
Investigation of CO Oxidation Transient Kinetics on an Oxygen Pre-covered Au(211) Stepped Surface
Enrique Samano et al.
CATALYSIS LETTERS (2009)
Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers
Andre K. Kelkkanen et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
Eamonn D. Murray et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces
T. Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Towards the computational design of solid catalysts
J. K. Norskov et al.
NATURE CHEMISTRY (2009)
Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
J. Greeley et al.
NATURE CHEMISTRY (2009)
Linear-scaling self-consistent implementation of the van der Waals density functional
Andris Gulans et al.
PHYSICAL REVIEW B (2009)
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
Guillermo Roman-Perez et al.
PHYSICAL REVIEW LETTERS (2009)
Measuring the Charge State of an Adatom with Noncontact Atomic Force Microscopy
Leo Gross et al.
SCIENCE (2009)
CO adsorption on Au(310) and Au(321): 6-Fold coordinated gold atoms
C. J. Weststrate et al.
SURFACE SCIENCE (2009)
Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene
Felix Studt et al.
SCIENCE (2008)
Adsorption of benzene on coinage metals:: A theoretical analysis using wavefunction-based methods
Riccarda Caputo et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
T. Thonhauser et al.
PHYSICAL REVIEW B (2007)
Multiple charge states of Ag atoms on ultrathin NaCl films
F. E. Olsson et al.
PHYSICAL REVIEW LETTERS (2007)
CO adsorption and reaction on clean and oxygen-covered Au(211) surfaces
Jooho Kim et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Binding energies in benzene dimers: Nonlocal density functional calculations
A Puzder et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
The interaction of C6H6 and C6H12 with noble metal surfaces:: Electronic level alignment and the origin of the interface dipole -: art. no. 184109
PS Bagus et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Some recent theoretical advances in the understanding of the catalytic activity of Au
LM Molina et al.
APPLIED CATALYSIS A-GENERAL (2005)
Van der waals density functional for general geometries (vol 92, art no 246401, 2004) -: art. no. 109902
M Dion et al.
PHYSICAL REVIEW LETTERS (2005)
Real-space grid implementation of the projector augmented wave method
JJ Mortensen et al.
PHYSICAL REVIEW B (2005)
Theoretical study of CO oxidation on Au nanoparticles supported by MgO(100)
LM Molina et al.
PHYSICAL REVIEW B (2004)
Role of crystalline defects in electrocatalysis: Mechanism and kinetics of CO adlayer oxidation on stepped platinum electrodes
NP Lebedeva et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Catalytic role of gold in gold-based catalysts: A density functional theory study on the CO oxidation on gold
ZP Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Catalytic CO oxidation by a gold nanoparticle: A density functional study
N Lopez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Catalysis of gold nanoparticles deposited on metal oxides
M Haruta
CATTECH (2002)
Identification of adsorbed phenyl (C6H5) groups on metal surfaces:: Electron-induced dissociation of benzene on Au(111)
D Syomin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
CO oxidation on stepped Pt[n(111) x (111)] electrodes
NP Lebedeva et al.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2000)
分享论文
