| Literature DB >> 36075728 |
Chatipat Lorpaiboon1, Jonathan Weare2, Aaron R Dinner1.
Abstract
Transition path theory provides a statistical description of the dynamics of a reaction in terms of local spatial quantities. In its original formulation, it is limited to reactions that consist of trajectories flowing from a reactant set A to a product set B. We extend the basic concepts and principles of transition path theory to reactions in which trajectories exhibit a specified sequence of events and illustrate the utility of this generalization on examples.Entities:
Year: 2022 PMID: 36075728 PMCID: PMC9458294 DOI: 10.1063/5.0098587
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 4.304