Many gas-phase chemical reactions proceed via reaction intermediates, supported by
potential wells. The characteristics of such complex-forming reactions differ drastically from …

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

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 time-dependent quantum mechanical approach has emerged as a powerful and a
practical computational tool for studying a variety of gas-phase chemical problems in recent …

The S-matrix for a scattering system provides the most detailed information about the
dynamics. In this work, we discuss the calculation of S-matrix elements for the A+ BC→ AB+ …

A new time-dependent wavepacket method is developed to study the A+ BC→ AB+ C, AC+
B reaction at the state-to-state level. The method only requires propagation of the …

In this paper, the three-dimensional time-dependent quantum wave packet calculation has
been employed to study the non-adiabatic reaction dynamics of F+ HD on three …

▪ Abstract Recent studies of state-resolved angular distributions show the participation of
reactive scattering resonances in the simplest chemical reaction. This review is intended for …

A theoretical study of the vibrational spectrum of the CHF 3 molecule is carried out with the
aid of the multiconfiguration time-dependent Hartree (MCTDH) algorithm. In order to obtain …

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