Ab initio study of the mechanism for the thermal decomposition of the phenoxy radical Article

Liu, RF, Morokuma, L, Mebel, AM et al. (1996). Ab initio study of the mechanism for the thermal decomposition of the phenoxy radical . JOURNAL OF PHYSICAL CHEMISTRY, 100(22), 9314-9322. 10.1021/jp953566w

keywords

  • 2ND-ROW COMPOUNDS
  • BENZYL
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • DERIVATIVES
  • ELECTRON-SPIN RESONANCE
  • GAUSSIAN-1 THEORY
  • MOLECULAR-ENERGIES
  • Physical Sciences
  • RESONANCE RAMAN-SPECTRUM
  • SHOCK-WAVES
  • SPECTROSCOPY
  • Science & Technology

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 9314

end page

  • 9322

volume

  • 100

issue

  • 22