Ab initio/Rice-Ramsperger-Kassel-Marcus study of the singlet C4H4 potential energy surface and of the reactions of C-2(X (1)Sigma(+)(g)) with C4H4(X (1)A(1g)(+)) and C(D-1) with C3H4 (allene and methylacetylene) Article

Mebel, AM, Kislov, VV, Kaiser, RI. (2006). Ab initio/Rice-Ramsperger-Kassel-Marcus study of the singlet C4H4 potential energy surface and of the reactions of C-2(X (1)Sigma(+)(g)) with C4H4(X (1)A(1g)(+)) and C(D-1) with C3H4 (allene and methylacetylene) . JOURNAL OF CHEMICAL PHYSICS, 125(13), 10.1063/1.2227378

cited authors

  • Mebel, AM; Kislov, VV; Kaiser, RI

sustainable development goals

authors

publication date

  • October 7, 2006

published in

keywords

  • COUPLED-CLUSTER SINGLES
  • CROSSED MOLECULAR-BEAM
  • Chemistry
  • Chemistry, Physical
  • ELEMENTARY REACTIONS
  • IR LASER PHOTOLYSIS
  • PHOTOCHEMICAL-TRANSFORMATIONS
  • PHOTOELECTRON-SPECTROSCOPY
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • QUADRATIC CONFIGURATION-INTERACTION
  • SOOT FORMATION
  • Science & Technology
  • TEMPERATURE-DEPENDENCE
  • TERT-BUTYLCYCLOBUTADIENE

Digital Object Identifier (DOI)

publisher

  • AIP Publishing

volume

  • 125

issue

  • 13