Direct H abstraction by molecular oxygen from unsaturated C3-C5 hydrocarbons: A theoretical study Article

Alarcon, Juan F, Mebel, Alexander M. (2022). Direct H abstraction by molecular oxygen from unsaturated C3-C5 hydrocarbons: A theoretical study . INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 54(3), 203-217. 10.1002/kin.21551

cited authors

  • Alarcon, Juan F; Mebel, Alexander M

authors

publication date

  • March 1, 2022

published in

keywords

  • ACETYLENE
  • CHEMICAL-KINETICS
  • COMBUSTION
  • Chemistry
  • Chemistry, Physical
  • FLAMES
  • OXIDATION
  • PYROLYSIS
  • Physical Sciences
  • SHOCK-TUBE
  • SOOT FORMATION
  • Science & Technology
  • TRANSITION-STATE THEORY
  • UNIMOLECULAR DECOMPOSITION
  • ab initio calculations
  • direct H abstraction
  • potential energy surface
  • rate constant
  • resonantly stabilized hydrocarbon radical
  • transition state theory

Digital Object Identifier (DOI)

publisher

  • WILEY

start page

  • 203

end page

  • 217

volume

  • 54

issue

  • 3