Literature DB >> 20550394

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.

M Kryvohuz1, R A Marcus.   

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.

Year:  2010        PMID: 20550394     DOI: 10.1063/1.3430508

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry.

Authors:  Rudolph A Marcus
Journal:  Proc Natl Acad Sci U S A       Date:  2013-06-28       Impact factor: 11.205

2.  Four Isotope-Labeled Recombination Pathways of Ozone Formation.

Authors:  Dmitri Babikov; Elizaveta Grushnikova; Igor Gayday; Alexander Teplukhin
Journal:  Molecules       Date:  2021-02-27       Impact factor: 4.411

  2 in total

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