Abstract
A semiempirical potential-energy surface has been generated from the London equation by evaluating the Coulomb and exchange integrals using a method which takes into account the effective orbital overlap as a function of internuclear distance. A single adjustable parameter is used to fit the calculated activation energy to the observed value. The surface is symmetrical and very flat over the saddle-point region, which leads to much lower values for the probability of H-atom tunneling through the barrier.
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.
