Ab initio and DFT study of the formation mechanisms of polycyclic aromatic hydrocarbons: The phenanthrene synthesis from biphenyl and naphthalene Article

Kislov, VV, Mebel, AM, Lin, SH. (2002). Ab initio and DFT study of the formation mechanisms of polycyclic aromatic hydrocarbons: The phenanthrene synthesis from biphenyl and naphthalene . JOURNAL OF PHYSICAL CHEMISTRY A, 106(25), 6171-6182. 10.1021/jp020406t

International Collaboration

keywords

  • ACETYLENE
  • CARBON
  • COMBUSTION
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • DEPOSITION
  • DISTRIBUTIONS
  • FLAMES
  • PAH
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • RATE CONSTANTS
  • SOOT EMISSIONS
  • Science & Technology

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 6171

end page

  • 6182

volume

  • 106

issue

  • 25