In this review we discuss quantum dynamically based theoretical methods for studying
bimolecular gas phase chemical reactions. The scope is largely limited to reactions …

A new discrete variable representation (DVR) is proposed where the eigenstates of one-
dimensional reference Hamiltonians are used to obtain the DVR localized basis functions …

This book provides a detailed presentation of modern quantum theories for treating the
reaction dynamics of small molecular systems. Its main focus is on the recent development …

The transition state region of the F+ H2 reaction has been studied by photoelectron
spectroscopy of FH2–. New para and normal FH2–photoelectron spectra have been …

One of the mostambitious goals in the field ofreaction dynamics is to be able to construct the
complete potential energy surface for a chemical reaction. Given such a surface, one can, in …

In the past few decades, experimental and theoretical advances have allowed for the study
of chemical reactions at the molecular level. Both intermolecular collisions and …

The theoretical methodology for including the effects of the geometric phase in quantum
reactive scattering and bound-state calculations is reviewed. Two approaches are …

In this article, we review several methods for performing numerically-exact reactive
scattering calculations using time-dependent wavepackets. The basic idea we imply is to …

The persistent differences between the rotational state distribution measurements of Kliner,
Adelman and Zare (J. Chem. Phys. 95,(1991) 1648) for the D+ H 2 reaction and theory are …

A fundamental question in the study of chemical reactions is how reactions proceed at a
collision energy close to absolute zero. This question is no longer hypothetical: quantum …