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      Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings

      1 , 1 , 1
      The Journal of Chemical Physics
      AIP Publishing

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          Strange and Unconventional Isotope Effects in Ozone Formation

          The puzzling mass-independent isotopic enrichment in ozone formation contrasts markedly with the more recently observed large unconventional mass-dependent ratios of the individual ozone formation rate constants in certain systems. An RRKM (Rice, Ramsperger, Kassel, Marcus)-based theory is used to treat both effects. Restrictions of symmetry on how energy is shared among the rotational/vibrational states of the ozone isotopomer, together with an analysis of the competition between the transition states of its two exit channels, permit the calculation of isotope effects consistent with a wide array of experimental results.
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            Adiabatic approximation and nonadiabatic corrections in the discrete variable representation: Highly excited vibrational states of triatomic molecules

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              On the theory of the strange and unconventional isotopic effects in ozone formation

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                Author and article information

                Journal
                The Journal of Chemical Physics
                The Journal of Chemical Physics
                AIP Publishing
                0021-9606
                1089-7690
                October 28 2018
                October 28 2018
                : 149
                : 16
                : 164302
                Affiliations
                [1 ]Department of Chemistry, Marquette University, Wehr Chemistry Building, Milwaukee, Wisconsin 53201-1881, USA
                Article
                10.1063/1.5042590
                3680e30d-a21a-4689-a02d-33782123d02a
                © 2018

                https://publishing.aip.org/authors/rights-and-permissions

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