Temperature and Pressure Dependence of the Reaction between Ethyl Radical and Molecular Oxygen: Experiments and Master Equation Simulations

Timo T. Pekkanen, Raimo S. Timonen, Elli A. Ramu, György Lendvay, Arkke J. Eskola

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Physical Chemistry A
Issue number5
Pages (from-to)1302-1313
Number of pages12
Publication statusPublished - 25 Jan 2023
MoE publication typeA1 Journal article-refereed

Bibliographical note

Funding Information:
We thank Stephen Klippenstein for providing us with the geometries, harmonic frequencies, and relative energies of the stationary points from his recent CH + O publication as well as the state sum for the loose recombination transition state. T.T.P. acknowledges support from the Doctoral Programme in Chemistry and Molecular Sciences of the University of Helsinki and the Magnus Ehrnrooth Foundation for funding. Project K129140 for G.L. was implemented with the support provided by the Ministry of Innovation and Technology of Hungary from the National Research, Development and Innovation Fund, financed under the OTKA funding scheme. T.T.P., E.A.R., and A.J.E. acknowledge support from the Academy of Finland (Grants 325250 and 346374). The authors also acknowledge CSC IT Center for Science in Finland for computational resources. 2 5 • 2

Publisher Copyright:
© 2023 The Authors.

Fields of Science

  • 116 Chemical sciences
  • Kinetics
  • Alkyl
  • C2h5
  • Thermochemistry
  • Mechanism
  • Models
  • O-2

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