Quantum and semiclassical theories of chemical reaction rates [electronic resource].

Published:: Washington, D.C. : United States. Dept. of Energy, 1995.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description:: 21 pages : digital, PDF file
Additional Creators:: Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information

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Summary:

A rigorous quantum mechanical theory (and a semiclassical approximation thereto) is described for calculating chemical reaction rates ``directly``, i.e., without having to solve the complete state-to-state reactive scattering problem. The approach has many vestiges of transition state theory, for which it may be thought of as the rigorous generalization.

Report Numbers:

E 1.99:lbl--37814
E 1.99: conf-9511139--1
conf-9511139--1
lbl--37814

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Note:

Published through SciTech Connect.
09/01/1995.
"lbl--37814"
" conf-9511139--1"
"DE96002311"
20. international Solvay conference in chemistry, Brussels (Belgium), 28 Nov - 2 Dec 1995.
Miller, W.H.

Funding Information:

AC03-76SF00098

View MARC record | catkey: 14355910