Bengt Lundqvist

Visar 69 publikationer
The vdW-DF Family of Non-Local Exchange-Correlation Functionals
van der Waals forces in density functional theory: a review of the vdW-DF method
Higher-accuracy van der Waals density functional
Comment on "Nonlocal Van Der Waals Density Functional Made Simple”
RPBE-vdW Description of Benzene Adsorption on Au(111)
Stacking Interactions and DNA Intercalation
Electron Transfer and Nonadiabaticity
A density functional for sparse matter
Stacking Interactions and the Twist of DNA
Chapter 10 Electron Transfer and Nonadiabaticity
Understanding Heterogeneous Catalysis from the Fundamentals
Nature of adsorption on TiC(111) investigated with density-functional calculations
Nature of Versatile Chemisorption on TiC(111) and TiN(111) Surfaces
Nature of Chemisorption on Titanium Carbide and Nitride
Comment on "Attracted by Long-Range Electron Correlation: Adenine on Graphite"
Non-adiabatic Effects in Initial Sticking
Nature of Bond between SiC and Graphite
First-principles determination of the polyethylene crystal structure
Trends in Atomic Adsorption on Titanium Carbide and Nitride
Van der Waals Density Functional Theory with Applications
NO oxidation properties of Pt(111) revealed by ab initio kinetic simulations
One-dimensional electron systems for anchoring growth of carbon nanostructures
Van der Waals density functional for general geometries (vol 92, art no 246401, 2004)
Van der Waals Density Functional for General Geometries
Initial sticking of O2 modeled by nonadiabatic charge transfer
Surface properties of metastable alumina: A comparative study of κ- and α-Al2O3
Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface
Van der Waals Density Functional for Layered Structures
Bridging between micro- and macroscales of materials by mesoscopic models
Stability of oxygen adsorption sites and ultrathin aluminum oxide films on Al(111)
Transport in robust fullerene-tube heterostructure transistor
Adiabatic potential-energy surfaces for oxygen on Al(111)
Quantum origin of the oxygen storage capability of ceria
Hydrogen dynamics in magnesium and graphite
Bridging between micro- and macroscales of materials by mesoscopic models
Density-functional calculation of van der Waals forces for free-electron-like surfaces
First-principles study of surface and subsurface O structures at Al(111)
Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles
Density-functional bridge between surfaces and interfaces
Neglected adsorbate interactions behind diffusion prefactor anomalies on metals
Theoretical Structure Determination of a Complex Material: κ-Al2O3
First-principles calculations on the atomic and electronic structure of kappa-Al2O3
Ballistic motion and abstraction in dimer dissociation at surfaces: Cl-2 on K
ELECTRON-TRANSFER PATHWAYS IN DYNAMIC PROCESSES - CL-2 ON K
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