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

In this review article, we present a systematic comparison of the theoretical rate constants for
a range of bimolecular reactions that are calculated by using three different classes of …

Studies on the dynamical stereochemistry of the Cl+ H 2 reaction and its isotopic variants,
especially the isotope effect on the product polarization, have been performed at a collision …

The Cl+ H2 reaction is an important benchmark system in the study of chemical reaction
dynamics that has always appeared to proceed via a direct abstraction mechanism, with no …

In this article, we first explored the chemical dynamics of simple diatomic radicals (dicarbon,
methylidyne) utilizing the crossed molecular beams method. This versatile experimental …

Reactivity of the excited spin-orbit state of Cl with H2 to yield ground-state HCl products is
forbidden by the Born-Oppenheimer (BO) approximation. We used new ab initio potential …

Recently, a combined study of high-resolution molecular crossed beam experiment and
accurate full-dimensional time-dependent theory, including full spin–orbit characteristics on …

Elementary triatomic reactions offer a compelling test of our understanding of the extent of
electron-nuclear coupling in chemical reactions, which is neglected in the widely applied …

The transition state is a key concept in the field of chemistry and is important in the study of
chemical kinetics and reaction dynamics. Chemical reactions in the gas phase are …

Three-dimensional potential energy surfaces for the entrance channel of the title reaction
have been computed using accurate multi-reference configuration wavefunctions and a very …