Please use this identifier to cite or link to this item:
https://doi.org/10.1063/1.1372335
Title: | Ab initio potential-energy surfaces for the reactions OH+H2↔H2O+H | Authors: | Yang, M. Zhang, D.H. Collins, M.A. Lee, S.-Y. |
Issue Date: | 1-Jul-2001 | Citation: | Yang, M., Zhang, D.H., Collins, M.A., Lee, S.-Y. (2001-07-01). Ab initio potential-energy surfaces for the reactions OH+H2↔H2O+H. Journal of Chemical Physics 115 (1) : 174-178. ScholarBank@NUS Repository. https://doi.org/10.1063/1.1372335 | Abstract: | The potential energy surfaces (PES) for the reactions of the hydroxyl group with the hydrogen molecule and the competing exchange processes were analyzed. The ground state PES was constructed from a hybrid of a number of ab initio estimates of the electronic energy. It was found that the reaction dynamics for the collisions of OH and H2 do not take place on the single adiabatic ground state surface due to the presence of another low lying state in the entrance channel. | Source Title: | Journal of Chemical Physics | URI: | http://scholarbank.nus.edu.sg/handle/10635/93037 | ISSN: | 00219606 | DOI: | 10.1063/1.1372335 |
Appears in Collections: | Staff Publications |
Show full item record
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.