Theoretical study of potential energy surface and thermal rate constants for the C6H5+H-2 and C6H6+H reactions Article

Mebel, AM, Lin, MC, Yu, T et al. (1997). Theoretical study of potential energy surface and thermal rate constants for the C6H5+H-2 and C6H6+H reactions . JOURNAL OF PHYSICAL CHEMISTRY A, 101(17), 3189-3196. 10.1021/jp9702356

cited authors

  • Mebel, AM; Lin, MC; Yu, T; Morokuma, K

authors

publication date

  • April 24, 1997

published in

keywords

  • 2ND-ROW COMPOUNDS
  • ATOMS
  • BENZENE
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • GAUSSIAN-1 THEORY
  • HYDROGEN
  • KINETICS
  • MOLECULAR-ENERGIES
  • PHENYL RADICAL REACTIONS
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • Science & Technology
  • TEMPERATURE

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 3189

end page

  • 3196

volume

  • 101

issue

  • 17