This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …

In this review we examine the presently available theoretical techniques for determining
metal surface reaction energetics. The unity bond index-quadratic exponential potential (UBI …

Owing to the development of efficient algorithms and the improvement of computer power it
is now possible to map out potential energy surfaces (PESs) of reactions at surfaces in great …

We review recent progress in the understanding of the chemical dynamics of gas− surface
reactions. Such reactions can involve many dynamically distinct interactions. Our review …

We present an exposition of the various theoretical models currently in use for describing the
dynamics of molecular dissociation at surfaces. We begin by outlining the representations of …

Understanding gas–surface reaction dynamics, such as the rupture and formation of bonds
in vibrationally and translationally excited ('hot') molecules, is important to provide …

A systematic study of a low pressure (5–200 mTorr) oxygen discharge is presented.
Measurements of the electron and negative ion densities in the 13.56 MHz capacitively …

Fast HD molecules are observed in the reaction of a beam of H (D) aotms with D (H) atoms
chemisorbed on a Cu (111) surface at 100 K. The mean kinetic energy of these molecules is …

Studies of the reaction of H atoms with Cl chemisorbed on Au (111) reveal two dynamically
distinct mechanisms. Some reactions occur on essentially a single gas‐surface collision, by …

Recent advances in theoretical characterization of reaction dynamics on metal surfaces are
reviewed. It is shown that the widely available density functional theory of metals and their …