A Theoretical Study of the Reaction Mechanism and Product Branching Ratios of C2H + C2H4 and Related Reactions on the C4H5 Potential Energy Surface Article

Krishtal, Sergey P, Mebel, Alexander M, Kaiser, Ralf I. (2009). A Theoretical Study of the Reaction Mechanism and Product Branching Ratios of C2H + C2H4 and Related Reactions on the C4H5 Potential Energy Surface . JOURNAL OF PHYSICAL CHEMISTRY A, 113(42), 11112-11128. 10.1021/jp904033a

cited authors

  • Krishtal, Sergey P; Mebel, Alexander M; Kaiser, Ralf I

authors

publication date

  • October 22, 2009

published in

keywords

  • AB-INITIO
  • ACETYLENE
  • ATOMS
  • CORRELATED MOLECULAR CALCULATIONS
  • CORRELATION-ENERGY
  • Chemistry
  • Chemistry, Physical
  • GAUSSIAN-BASIS SETS
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • QUANTUM-CHEMISTRY
  • RATE COEFFICIENTS
  • Science & Technology
  • UNSATURATED HYDROCARBON RADICALS
  • VINYL

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 11112

end page

  • 11128

volume

  • 113

issue

  • 42