Ab initio MO calculations for the reactions of NH2 with H2, H2O, NH3 and CH4:: prediction of absolute rate constants and kinetic isotope effects Article

Mebel, AM, Moskaleva, LV, Lin, MC. (1999). Ab initio MO calculations for the reactions of NH2 with H2, H2O, NH3 and CH4:: prediction of absolute rate constants and kinetic isotope effects . THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 461 223-238. 10.1016/S0166-1280(98)00423-0

International Collaboration

cited authors

  • Mebel, AM; Moskaleva, LV; Lin, MC

sustainable development goals

authors

publication date

  • April 2, 1999

published in

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

Digital Object Identifier (DOI)

publisher

  • ELSEVIER

start page

  • 223

end page

  • 238

volume

  • 461