Theoretical Study of the Multichannel Reaction HS(v′,j′=1) +O2(v′′=0,j′′=1) → products

  • Y. O. Guerrero Dpto. de Física General y Matemáticas, Instituto Superior de Tecnologías y Ciencias Aplicadas (InsTEC), Salvador Allende y Luaces, Apdo. Postal 6163, Habana 10600, Plaza, Ciudad de La Habana, Cuba
  • J. D. Garrido Dpto. de Física General y Matemáticas, Instituto Superior de Tecnologías y Ciencias Aplicadas (InsTEC), Salvador Allende y Luaces, Apdo. Postal 6163, Habana 10600, Plaza, Ciudad de La Habana, Cuba
  • M. Y. Ballester Centro de Estudios Ambientales de Cienfuegos (CEAC)

Abstract

We report a theoretical study of the title four-atom reaction for a wide range of translational energies, considering the reactants in the ground vibrational state and also in some vibrationally excited levels of the HS radical. All calculations have employed the quasiclassical trajectories method (QCT) and a recently reported double many-body expansion potential energy surface for the ground electronic state of HSO2 . Cross section, specific thermal rate coefficients and vibrationally averaged thermal rate coefficient are reported. To account the leak of zero point energies a QCT intermediate vibrational energy (IVEQMT) criteria is used.

Published
Dec 20, 2007
How to Cite
GUERRERO, Y. O.; GARRIDO, J. D.; BALLESTER, M. Y.. Theoretical Study of the Multichannel Reaction HS(v′,j′=1) +O2(v′′=0,j′′=1) → products. Revista Cubana de Física, [S.l.], v. 24, n. 2, p. 127-132, dec. 2007. ISSN 2224-7939. Available at: <https://revistacubanadefisica.org/index.php/rcf/article/view/RCF_24_2_127>. Date accessed: 19 apr. 2024.
Citation Formats
Issue
Vol 24 No 2 (2007)
Section
Original Articles

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