Potential Energy Surface for Oxidation of Indenyl C9H7 Article

Ghildina, AR, Mebel, AM, Azyazov, VN. (2018). Potential Energy Surface for Oxidation of Indenyl C9H7 . BULLETIN OF THE LEBEDEV PHYSICS INSTITUTE, 45(10), 291-294. 10.3103/S1068335618100019

International Collaboration

cited authors

  • Ghildina, AR; Mebel, AM; Azyazov, VN

authors

publication date

  • October 1, 2018

published in

keywords

  • 6-311G(d
  • B3LYP
  • CYCLOPENTADIENYL
  • MOLECULAR-OXYGEN
  • PAH
  • Physical Sciences
  • Physics
  • Physics, Multidisciplinary
  • REACTION-MECHANISM
  • Science & Technology
  • ab initio
  • combustion
  • indenyl
  • p) level of theory
  • potential energy surface

Digital Object Identifier (DOI)

publisher

  • PLEIADES PUBLISHING INC

start page

  • 291

end page

  • 294

volume

  • 45

issue

  • 10