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RESEARCH PRODUCT

Differential cross sections and product ro-vibrational distributions for 16O+36O2 and 18O+32O2 exchange reactions

Rajagopala Rao TammineniGrégoire GuillonSrikanth KorutlaPascal HonvaultPascal Honvault

subject

PhysicsAb initioGeneral Physics and Astronomy02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesProduct (mathematics)Potential energy surfacePhysical chemistryPhysical and Theoretical Chemistry0210 nano-technologyDifferential (mathematics)

description

Abstract We report the rotational-state resolved integral cross sections and differential cross sections for 18O + 16O16O (v = 0, j = 1) → 18O16O ( v ′  = 0, j ′ ) + 16O and 16O + 18O18O (v = 0, j = 1) → 18O16O ( v ′  = 0, j ′ ) + 18O reactions obtained using time-independent quantum mechanical method on an ab initio potential energy surface of ozone [Dawes et al. J. Chem. Phys.135, 081102(2011)]. The results for both the reactions in the collision energy range of 0.001 – 0.1 eV are presented and discussed the isotopic effects found. The present results are compared with the earlier experimental and theoretical results reported in the literature.

https://doi.org/10.1016/j.cplett.2021.138648