Detail:
Abstract: The determination of chemical reaction coefficients plays central role in the chemical kinetics modeling of combustion, atmospheric and interstellar chemistry by offering key parameters. A recently developed full dimensional approximate quantum dynamics, ring-polymer molecular dynamics (RPMD) provides an efficiency means for achieving high accuracy with less computational cost. Now RPMD has been applied to various kinds of chemical reactions, including barrier-less reactions, confirmed it is an efficient and reliable method for theoretical studies in chemical reaction dynamics.
