Reactive force fields for surface chemical reactions: A case study with hydrogen dissociation on Pd surfaces

Adsorption at Nanostructured Surfaces from First Principles

(2016) Axel Groß   Journal of Computational and Theoretical Nanoscience

Adsorption dynamics of H2 on Pd(100) from first principles

(2009) A. Lozano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Six-dimensional quantum dynamics of H2 dissociative adsorption on the Pt(211) stepped surface

(2008) R. A. Olsen et al.   JOURNAL OF CHEMICAL PHYSICS

Dissociative dynamics of spin-triplet and spin-singlet O2 on Ag(100)

(2008) M. Alducin et al.   JOURNAL OF CHEMICAL PHYSICS

The role of exchange-correlation functionals in the potential energy surface and dynamics of N2 dissociation on W surfaces

(2008) G. A. Bocan et al.   JOURNAL OF CHEMICAL PHYSICS

H2 Chemisorption on W(100) and W(110) Surfaces

(2008) H. Fabio Busnengo et al.   Journal of Physical Chemistry C

H2reactivity on strained pseudomorphic monolayers of Cu and Pd on Ru(0001)

(2008) G. Laurent et al.   PHYSICAL REVIEW B

Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces

(2008) J. I. Juaristi et al.   PHYSICAL REVIEW LETTERS

Frontiers in Surface Scattering Simulations

(2008) G.-J. Kroes   SCIENCE

Classical dynamics study of atomic oxygen sticking on the β-cristobalite (100) surface

(2008) C. Arasa et al.   SURFACE SCIENCE