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Title: The dynamics of the H+D2O→OD+HD reaction at 2.5 eV: Experiment and theory
Authors: Brouard, M.
Burak, I.
Minayev, D.
O'Keeffe, P.
Vallance, C.
Aoiz, F.J.
Bañares, L.
Castillo, J.F.
Zhang, D.H. 
Collins, M.A.
Issue Date: 15-Jan-2003
Citation: Brouard, M., Burak, I., Minayev, D., O'Keeffe, P., Vallance, C., Aoiz, F.J., Bañares, L., Castillo, J.F., Zhang, D.H., Collins, M.A. (2003-01-15). The dynamics of the H+D2O→OD+HD reaction at 2.5 eV: Experiment and theory. Journal of Chemical Physics 118 (3) : 1162-1174. ScholarBank@NUS Repository.
Abstract: Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the hot H atom reaction with D2O at a mean collision energy of 2.48 eV are presented. In addition, OD quantum state population distributions and rotational alignment parameters as well as quantum state-averaged internal energy disposals are reported under the same conditions. The experimental data provide a stringent test for quasi-classical trajectory (QCT) scattering calculations, and of the potential energy surfaces they employ.
Source Title: Journal of Chemical Physics
ISSN: 00219606
DOI: 10.1063/1.1528896
Appears in Collections:Staff Publications

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