Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.
about
Measuring the mechanical properties of molecular conformersRole of the Pinning Points in epitaxial Graphene Moiré Superstructures on the Pt(111) Surface.The dynamics of benzene on Cu(111): a combined helium spin echo and dispersion-corrected DFT study into the diffusion of physisorbed aromatics on metal surfaces.Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials.van der Waals density functionals applied to corundum-type sesquioxides: bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces.Non-covalent adsorption of amino acid analogues on noble-metal nanoparticles: influence of edges and vertices.Molecular adsorption at Pt(111). How accurate are DFT functionals?Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles.Water-Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111).Theoretical study of the adsorption of benzene on coinage metals.Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces.Chemical insight from density functional modeling of molecular adsorption: Tracking the bonding and diffusion of anthracene derivatives on Cu(111) with molecular orbitals.Hydrogen activation, diffusion, and clustering on CeO₂(111): a DFT+U study.The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface.Thermodynamic study of benzene and hydrogen coadsorption on Pd(111).Coverage-dependent structural phase transformations in the adsorption of pentacene on an aperiodically modulated Cu film.On the tautomerisation of porphycene on copper (111): Finding the subtle balance between van der Waals interactions and hybridisation.Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structureSelf-assembly of strongly dipolar molecules on metal surfacesA first principles study of CO2 adsorption on α-SiO2(001) surfaces
P2860
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P2860
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.
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Insight into the description o ...... ansition metal (111) surfaces.
@en
Insight into the description o ...... adsorption on transition metal
@nl
type
label
Insight into the description o ...... ansition metal (111) surfaces.
@en
Insight into the description o ...... adsorption on transition metal
@nl
prefLabel
Insight into the description o ...... ansition metal (111) surfaces.
@en
Insight into the description o ...... adsorption on transition metal
@nl
P2860
P50
P356
P1476
Insight into the description o ...... ansition metal (111) surfaces.
@en
P2093
Alexandre Tkatchenko
P2860
P304
P356
10.1063/1.4866175
P407
P577
2014-02-01T00:00:00Z