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

It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics.
Here we consider Coriolis coupling effect in quantum reactive scattering calculations in 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 …

The latest reactive scattering experiments1 study gasphase chemical reactions at an
unprecedented level of detail, and require rigorous, often fully quantum mechanical, 2, 3 …

The O+ O 2 isotope exchange reactions play an important role in determining the oxygen
isotopic composition of a number of trace gases in the atmosphere, and their temperature …

The workability of beyond Born-Oppenheimer theory to construct diabatic potential energy
surfaces (PESs) of a charge transfer atom-diatom collision process has been explored by …

We had calculated adiabatic potential energy surfaces (PESs), nonadiabatic, and spin–orbit
(SO) coupling terms among the lowest three electronic states (12A′, 22A′, and 12A ″) of …

An analytic quasi-diabatic representation of ab initio electronic structure data is key to the
accurate quantum mechanical description of non-adiabatic chemical processes. In this work …

We review the recent progress achieved in the theoretical description of chemical reactions
at low temperatures. In particular, we discuss the crucial role played by the van der Waals …

Recent progress in the study of insertion reactions of hydrogen molecules with excited
atoms is reviewed in this article. In particular, the dynamics of the reaction of O (1 D), N (2 D) …