Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Chemical Kinetics
11 (1979), S. 665-683
ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The relations of quantum and kinetic isotope effects are investigated using the exact quantum corrections to the collision and activated complex theories. The latter are computed for the collinear three-atomic reaction H2 + H → H + H2 and the related isotopic reactions using realistic potential energy surfaces. Taking into account the bent configurations of the collision complex H-H-H gives a very good agreement between the quantum collision theory and the experimental data for the absolute values and the isotopic ratios of rate constants. Classical trajectory calculations yield considerably lower results.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/kin.550110612
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