Abstract
Valley–ridge-inflection points (VRI) of a potential energy surface (PES) may have a strong relation to bifurcations of chemical reaction pathways. We explain how a reaction path has to be defined to describe the bifurcation of a ‘valley’ of the PES. We propose a classification of different VRI events: valley bifurcation, ridge bifurcation, and the mixed case in between. Chemical implications of the different cases are discussed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
