Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (4): 618.

• Articles • Previous Articles     Next Articles

Quantum Chemistry Study of the Rearrangement and DissociationProcesses on the Potential Energy Surfaces of H2BO

LI Xue-Kui, LI Bo-Fu   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun, 130023
  • Received:1994-04-08 Revised:1994-09-27 Online:1995-04-24 Published:1995-04-24

Abstract: The rearrangement and dissociation processes on H2BO potential energy surface are presented. Equilibrium and transition state geometries were determined by using the energy gradient technique at both UHF/3-21G and MP2/3-21Glevels.

Key words: Dehydrogenation, Isomerization, Rearrangement and dissociation processes

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