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Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.
Argonne National Lab., IL (USA)1987
Argonne National Lab., IL (USA)1987
AbstractAbstract
[en] We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H2, an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs
Original Title
Li + HF; OH + H2
Primary Subject
Source
1987; 28 p; Faraday discussion on dynamics of elementary gas phase reactions; Birmingham (UK); 14-16 Sep 1987; Available from NTIS, PC A03/MF A01; 1 as DE88003041; Portions of this document are illegible in microfiche products.
Record Type
Report
Literature Type
Conference; Numerical Data
Report Number
Country of publication
ALKALI METALS, DATA, ELEMENTS, ENERGY, ENERGY LEVELS, ENERGY-LEVEL TRANSITIONS, EXCITED STATES, FLUORINE COMPOUNDS, HALOGEN COMPOUNDS, HYDROGEN COMPOUNDS, INFORMATION, INORGANIC ACIDS, INORGANIC COMPOUNDS, KINETICS, MATHEMATICAL OPERATORS, METALS, NONMETALS, NUMERICAL DATA, QUANTUM OPERATORS, RADICALS, REACTION KINETICS
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