Density functional study of the adsorption and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS2

Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set

(2008) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Recent density functional studies of hydrodesulfurization catalysts: insight into structure and mechanism

(2008) Berit Hinnemann et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory

(2008) Karen Johnston et al.   PHYSICAL REVIEW B

A DFT study on benzene adsorption over a corner site of tungsten sulfides

(2007) Ryutaro Koide et al.   CATALYSIS TODAY

Computational studies of (mixed) sulfide hydrotreating catalysts

(2007) Jean-François Paul et al.   CATALYSIS TODAY

A density functional theory study of the hydrodesulfurization reaction of dibenzothiophene to biphenyl on a single-layer NiMoS cluster

(2007) Thomas Weber et al.   CATALYSIS TODAY

Stacking Interactions and the Twist of DNA

(2007) Valentino R. Cooper et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY