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- Publisher
- Wiley
- Copyright
- Copyright © 2000 Wiley Subscription Services, Inc., A Wiley Company
- ISSN
- 1001-604X
- eISSN
- 1614-7065
- DOI
- 10.1002/cjoc.20000180309
- Publisher site
- See Article on Publisher Site
Abstract
A quantum mechanical calculation was performed to study the hydrogen atom transfer of collinear OH…O/OD…O system, for which Delves' coordinates and R‐matrix propagation method were applied in a Melius‐Blint potential energy surface. The calculation result showed that the state‐state H atom transfer probability comported strong oscillation phenomena and collision delay time of the title system was in the fs‐ps time scale. The kinetic isotope effect was calculated in this work too.
Journal
Chinese Journal of Chemistry – Wiley
Published: May 1, 2000
Keywords: ; ; ;