Ab initio MO study of the global potential energy surface of C4H4 in triplet electronic state and the reactions of C(P-3(j)) with C3H4 (allene and propyne) and C-2(A(3)II(u)) with C2H4(X(1)A(1g)(+)) 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(P-3(j)) with C3H4 (allene and propyne) and C-2(A(3)II(u)) with C2H4(X(1)A(1g)(+)) . 122(8), 1776-1788. 10.1021/ja9935299



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)

start page

  • 1776

end page

  • 1788

volume

  • 122

issue

  • 8