Please use this identifier to cite or link to this item:
Title: Cross section for the H + H2O abstraction reaction: Experiment and theory
Authors: Brouard, M.
Burak, I.
Marinakis, S.
Minayev, D.
O'Keeffe, P.
Vallance, C.
Aoiz, F.J.
Bañares, L.
Castillo, J.F.
Zhang, D.H. 
Xie, D. 
Yang, M. 
Lee, S.-Y.
Collins, M.A.
Issue Date: 7-Mar-2003
Citation: Brouard, M.,Burak, I.,Marinakis, S.,Minayev, D.,O'Keeffe, P.,Vallance, C.,Aoiz, F.J.,Bañares, L.,Castillo, J.F.,Zhang, D.H.,Xie, D.,Yang, M.,Lee, S.-Y.,Collins, M.A. (2003-03-07). Cross section for the H + H2O abstraction reaction: Experiment and theory. Physical Review Letters 90 (9) : 093201/1-093201/4. ScholarBank@NUS Repository.
Abstract: A state-of-the-art 5D quantum mechanical (QM) and quasiclassical trajectory (QCT) scattering calculations for the title reaction using the YZCL2 potential energy surface (PES) is presented. Calculated absolute cross sections and OH rotational distributions are compared with new experimental results obtained at a mean collision energy of 2.46 eV. Although the new theoretical and experimental data agree better than previous studies, there remains a factor of 2 discrepancy in the abstraction reaction cross section.
Source Title: Physical Review Letters
ISSN: 00319007
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

Google ScholarTM


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.