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Published June 14, 2010 | Erratum + Published
Journal Article Open

Coriolis coupling as a source of non-RRKM effects in triatomic near-symmetric top molecules: Diffusive intramolecular energy exchange between rotational and vibrational degrees of freedom

Abstract

A classical theory is proposed to describe the non-RRKM effects in activated asymmetric top triatomic molecules observed numerically in classical molecular dynamics simulations of ozone. The Coriolis coupling is shown to result in an effective diffusive energy exchange between the rotational and vibrational degrees of freedom. A stochastic differential equation is obtained for the K-component of the rotational angular momentum that governs the diffusion.

Additional Information

© 2010 American Institute of Physics. Received 27 October 2009; accepted 7 April 2010; published online 8 June 2010. We are pleased to acknowledge the support of this research by the Glanville Fellowship to M.K. and by an NSF grant to R.A.M.

Attached Files

Published - Kryvohuz2010p10590J_Chem_Phys.pdf

Erratum - JChemPhys_137_159901.pdf

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