Abstract

Total reaction probabilities, integral cross sections and total rate constants of the N(2D)+H2 reaction and its isotopic variants were calculated using a time-dependent quantum wave packet method with a centrifugal sudden approximation on the latest reported global potential energy surface. The effect of rotational excitation of the diatoms and its projection quantum number on the behaviour of reaction probabilities was studied. Reaction probabilities were calculated using a flux wave packet method. The results indicate that the reaction kinetics are affected by intermolecular isotope and collision energies.

Full Text
Paper version not known

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 call

Disclaimer: 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.