AB-INITIO MOLECULAR-ORBITAL STUDY OF POTENTIAL-ENERGY SURFACE FOR THE REACTION OF C2H3 WITH H-2 AND RELATED REACTIONS Article

MEBEL, AM, MOROKUMA, K, LIN, MC. (1995). AB-INITIO MOLECULAR-ORBITAL STUDY OF POTENTIAL-ENERGY SURFACE FOR THE REACTION OF C2H3 WITH H-2 AND RELATED REACTIONS . JOURNAL OF CHEMICAL PHYSICS, 103(9), 3440-3449. 10.1063/1.470715

keywords

  • ABINITIO
  • ANALYTICAL GRADIENTS
  • ATOMIC-HYDROGEN
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • ETHYLENE
  • HARTREE-FOCK
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • QUADRATIC CONFIGURATION-INTERACTION
  • RADICAL REACTIONS
  • REACTION RATES
  • Science & Technology
  • VINYL RADICALS

Digital Object Identifier (DOI)

publisher

  • AMER INST PHYSICS

start page

  • 3440

end page

  • 3449

volume

  • 103

issue

  • 9