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

In this review, we survey the latest advances in theoretical understanding of bimolecular
reaction dynamics in the past decade. The remarkable recent progress in this field has been …

A rigorous, general, and simple method to fit global and permutation invariant potential
energy surfaces (PESs) using neural networks (NNs) is discussed. This so-called …

This Feature Article presents an overview of the current status of ring polymer molecular
dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to …

A global potential energy surface for the H 2+ OH↔ H 2 O+ H reaction has been constructed
using the neural networks method based on∼ 17 000 ab initio energies calculated at …

An accurate and efficient time-dependent wave packet method is proposed for solving the
product state-resolved reaction probabilities of the tetratomic reactive system. In this method …

There has been great progress in the development of potential energy surfaces (PESs) and
quantum dynamics calculations in the gas phase. The establishment of a fitting procedure …

Electronically nonadiabatic interactions between molecules and metal surfaces are now well
known. Evidence is particularly clear from studies of diatomic molecules that molecular …

Just as light scattering from an object results in diffraction patterns, the quantum mechanical
nature of molecules can lead to the diffraction of matter waves during molecular collisions …

This review surveys quantum scattering calculations on chemical reactions of polyatomic
molecules in the gas phase published in the last ten years. These calculations are useful …