Ab initio MO calculations for the reactions of NH2 with H-2, H2O, NH3 and CH4: prediction of absolute rate constants and kinetic isotope effects

cited authors

  • Mebel, AM; Moskaleva, LV; Lin, MC

fiu authors

publication date

  • April 2, 1999

keywords

  • Chemistry
  • Chemistry, Physical
  • DYNAMICS
  • G2M method
  • GAS-PHASE
  • HIGH-TEMPERATURE
  • HYDROCARBONS
  • HYDROGEN ABSTRACTION REACTIONS
  • NH2(X2B1)-RADICALS
  • NITROGEN
  • OH
  • Physical Sciences
  • RADICALS
  • Science & Technology
  • THERMOCHEMISTRY
  • amino radical
  • hydrogen abstraction
  • rate constant
  • transition state theory

WoS ID

  • 000079265300021

Digital Object Identifier (DOI)

start page

  • 223

end page

  • 238

volume

  • 461