Ab initio MO study of the global potential energy surface of C4H4 in triplet electronic state and the reactions of C(3Pj) with C3H4 (allene and propyne) and C2(A3IIu) with C2H4(X1A1g+) Article

Mebel, AM, Kaiser, RI, Lee, YT. (2000). Ab initio MO study of the global potential energy surface of C4H4 in triplet electronic state and the reactions of C(3Pj) with C3H4 (allene and propyne) and C2(A3IIu) with C2H4(X1A1g+) . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 122(8), 1776-1788. 10.1021/ja9935299

International Collaboration

cited authors

  • Mebel, AM; Kaiser, RI; Lee, YT

sustainable development goals

authors

publication date

  • March 1, 2000

published in

keywords

  • 2ND-ROW COMPOUNDS
  • CARBON-ATOMS
  • CHEMICAL-DYNAMICS
  • COUPLED-CLUSTER
  • CROSSED-BEAM REACTION
  • Chemistry
  • Chemistry, Multidisciplinary
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • GAUSSIAN-2 THEORY
  • HYDROCARBON MOLECULES
  • INTERSTELLAR C3H
  • Physical Sciences
  • RADICAL FORMATION
  • Science & Technology

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 1776

end page

  • 1788

volume

  • 122

issue

  • 8