The C2H3+O2 reaction revisited:: Is multireference treatment of the wave function really critical? Letter

Mebel, AM, Kislov, VV. (2005). The C2H3+O2 reaction revisited:: Is multireference treatment of the wave function really critical? . Journal of Physical Chemistry A, 109(32), 6993-6997. 10.1021/jp052772t

International Collaboration

cited authors

  • Mebel, AM; Kislov, VV

authors

publication date

  • August 18, 2005

published in

keywords

  • AB-INITIO
  • BASIS-SET
  • COMPUTATION
  • COUPLED-CLUSTER ENERGIES
  • Chemistry
  • Chemistry, Physical
  • GAUSSIAN-2
  • GEOMETRIES
  • KINETICS
  • MOLECULAR-OXYGEN
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • Science & Technology
  • THERMOCHEMISTRY
  • VINYL RADICALS

Digital Object Identifier (DOI)

start page

  • 6993

end page

  • 6997

volume

  • 109

issue

  • 32