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Chemical Sciences Division
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Zhu, R. S.; Lin, M. C.
Ab initio chemical kinetics for ClO reactions with HOx, ClOx and NOx (x=1, 2): A review
Comput. Theor. Chem.
328 - 339
ClNO2 → NO2 + ·Cl
400 - 1500
3.76x1021 [cm3/molecule s] (T/298 K)-6.80 e-153061 [J/mole]/RT
Transition state theory
Rate constant is low pressure limit
Potential energy surfaces for a series of reactions were studied using quantum chemistry. Rate constants were calculated using transition state theory and, for pressure-dependent rate constants, master equation methods. Rate constant expression is stated to be for the low-pressure limit (second order) but the values are appropriate for a first-order reaction in s-1.
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Rate constant values calculated from the Arrhenius expression:
|T (K)||k(T) [cm3/molecule s]|