Photodissociation dynamics of propyne and allene:: A view from ab initio calculations of the C3Hn (n=1-4) species and the isomerization mechanism for C3H2 Article

Mebel, AM, Jackson, WM, Chang, AHH et al. (1998). Photodissociation dynamics of propyne and allene:: A view from ab initio calculations of the C3Hn (n=1-4) species and the isomerization mechanism for C3H2 . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 120(23), 5751-5763. 10.1021/ja9727169

International Collaboration

cited authors

  • Mebel, AM; Jackson, WM; Chang, AHH; Lin, SH

sustainable development goals

authors

publication date

  • June 17, 1998

published in

keywords

  • BOND-DISSOCIATION ENERGIES
  • COUPLED-CLUSTER SINGLES
  • Chemistry
  • Chemistry, Multidisciplinary
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • EXCITED-STATES
  • FRANCK-CONDON FACTORS
  • GROUND-STATE
  • MOLECULAR-ORBITAL THEORY
  • Physical Sciences
  • QUADRATIC CONFIGURATION-INTERACTION
  • SINGLET ELECTRONIC STATES
  • Science & Technology
  • TRIPLET-STATES

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 5751

end page

  • 5763

volume

  • 120

issue

  • 23