Elsebeth Schröder
Showing 71 publications
Initial oxidation of low index Mg surfaces investigated by SCLS and DFT
Differences in interaction of graphene/graphene oxide with bacterial and mammalian cell membranes
Hard and soft materials: Putting consistent van der Waals density functionals to work
Filter function of graphene oxide: Trapping perfluorinated molecules
Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
Signatures of van der Waals binding: A coupling-constant scaling analysis
The vdW-DF Family of Non-Local Exchange-Correlation Functionals
Graphene oxide and adsorption of chloroform: A density functional study
Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks
van der Waals forces in density functional theory: a review of the vdW-DF method
Interpretation of van der Waals density functionals
Harris-type van der Waals density functional scheme
Methanol Adsorption on Graphene
A van der Waals density functional study of chloroform and other trihalomethanes on graphene
Physisorption of nucleobases on graphene: a comparative van der Waals study
Desorption of n-alkanes from graphene: a van der Waals density functional study
Vanadium pentoxide (V2O5): a van der Waals density functional study
Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory
A density functional for sparse matter
Stacking Interactions and the Twist of DNA
Potassium intercalation in graphite: A van der Waals density-functional study
Adsorption of methylamine on alpha-Al203(0001) and alpha-Cr203(0001)
Interactions in nanotube bundles: A first-principles investigation
Adsorption of methanol and methoxy on the α-Cr2O3(0001) surface
First-principles study of the adsorption of methanol at the alpha-Al2O3(0001) surface
Dimers of polycyclic aromatic hydrocarbons in density functional theory
First-principles determination of the polyethylene crystal structure
Potassium intercalation in graphite: A van der Waals density functional theory study
Comment on "Attracted by Long-Range Electron Correlation: Adenine on Graphite"
Adsorption of methylamine on α-Al203(0001) and α-Cr203(0001)
Van der Waals interaction of simple, parallel polymers
van der Waals interactions of polycyclic aromatic hydrocarbon dimers
Van der Waals density functional for general geometries (vol 92, art no 246401, 2004)
Van der Waals interaction of parallel polymers and nanotubes
Van der Waals Density Functional Theory with Applications
O adsorption and incipient oxidation of the Mg(0001) surface
Van der Waals Density Functional for General Geometries
Mg(0001) Surface Oxidation: A Two-Dimensional Oxide Phase
Theory for structure and bulk modulus determination
Van der Waals Density Functional for Layered Structures
Van der Waals Interactions of Parallel and Concentric Nanotubes
The van der Waals Interactions of Concentric Nanotubes
Adsorption of Methanol on Aluminum Oxide: A Density Functional Study
Ultrathin Pd and Pt Films on W(211)
Hydrogen dynamics in magnesium and graphite
Oxidation of Mg(0001): A combined Experimental and Theoretical Study
Interaction effects in magnesium oxidation: A lattice-gas simulation
The van der Waals Interactions of Concentric Nanotubes
Bridging between micro- and macroscales of materials by mesoscopic models
Density-functional bridge between surfaces and interfaces
Nematic liquid-crystal director configuration for general elastic coefficients
Diffusion von Teilchen in turbulenten Oberflächenwellen
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Showing 4 research projects
DNA: Understanding how nucleobase interactions affect photophysical properties
Pollutant physisorption and weak chemisorption - atomic-scale theory and calculations
The Swedish Graphene Initiative
Atomic-scale theory methods for sparse and soft matter