▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

This review describes advances which have occurred during the past decade in chemical
reaction dynamics using crossed molecular beams. After a brief historical introduction …

The semiclassical initial value representation (SC-IVR), which has recently seen a great
deal of interest for treating nuclear dynamics on a single potential energy surface, is …

Molecular vibrations drive chemical reactions. Because reaction requires a rearrangement
of nuclear positions as old bonds break and new ones form, a few molecules that have …

▪ Abstract Crossed-molecular-beam and laser techniques have enabled experimentalists to
measure the state-resolved differential cross sections of elementary chemical reactions. This …

Quantum dynamical theories have progressed to the stage in which state-to-state differential
cross sections can now be routinely computed with high accuracy for three-atom systems …

A full quantum dynamical study of the reactions of a hydrogen atom with water, on an
accurate ab initio potential energy surface, is reported. The theoretical results are compared …

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

The Polanyi rules, which state that vibrational energy is more efficient in promoting a late-
barrier reaction than translational energy, were questioned recently by an experimental …

This paper is an overview of the theory of reactive scattering, with emphasis on fully
quantum mechanical theories that have been developed to describe simple chemical …