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QUANTUM SCATTERING CALCULATIONS ON H2O+H-]H2+OH AND ISOTOPES - ROTATIONAL DISTRIBUTIONS AND CROSS-SECTIONS

Abstract:

Quantum scattering calculations on the reactions of H atoms with H 2O, D2O, and HOD have been performed at energies up to 2.7 eV. The rotating bond approximation is used. For H+H2O, this method explicitly treats the OH product rotation and H2 product vibration as well as the bending motion and a local stretch of the reactant H2O. Calculated rotational distributions of the OH and OD products are compared with several measured distributions and good agreement is found. Calculated absolute cross...

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Publication status:
Published

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Publisher copy:
10.1063/1.465655

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
99
Issue:
10
Pages:
7774-7786
Publication date:
1993-11-15
DOI:
ISSN:
0021-9606
URN:
uuid:52711904-016a-479a-bb8b-30eb88618b99
Source identifiers:
53008
Local pid:
pubs:53008

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