期刊
CHEMICAL PHYSICS LETTERS
卷 776, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.cplett.2021.138648
关键词
Oxygen exchange reactions; Potential energy surface; Integral cross sections; Differential cross sections; Time-independent quantum mechanical method
资金
- Indian Institute of Technology Patna
- DST under INSPIRE Faculty Award [DST/INSPIRE/04/2015/000094]
The rotational-state resolved integral cross sections and differential cross sections for 18O + 16O16O and 16O + 18O18O reactions were reported, obtained using a time-independent quantum mechanical method on an ab initio potential energy surface of ozone. The isotopic effects were discussed and the results were compared with earlier experimental and theoretical results from the literature.
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.
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