Reaction Mechanism of Naphthyl Radicals with Molecular Oxygen. 1. Theoretical Study of the Potential Energy Surface Article

Zhou, Chong-Wen, Kislov, Vadim V, Mebel, Alexander M. (2012). Reaction Mechanism of Naphthyl Radicals with Molecular Oxygen. 1. Theoretical Study of the Potential Energy Surface . JOURNAL OF PHYSICAL CHEMISTRY A, 116(6), 1571-1585. 10.1021/jp2119313

International Collaboration

cited authors

  • Zhou, Chong-Wen; Kislov, Vadim V; Mebel, Alexander M

publication date

  • February 16, 2012

published in

keywords

  • AB-INITIO
  • BENZENE
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • O-2
  • OXIDATION
  • POLYCYCLIC AROMATIC-HYDROCARBONS
  • PREMIXED FLAMES
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • SOOT FORMATION
  • Science & Technology
  • THERMAL-DECOMPOSITION
  • UNIMOLECULAR DECOMPOSITION

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 1571

end page

  • 1585

volume

  • 116

issue

  • 6