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Potential Energy Surfaces and Dissociation Mechanisms of the C2 H4+ Ion

  • M. Oblinger
  • A. J. Lorquet
  • J. C. Lorquet

Abstract

For several years, the potential energy surfaces and reaction mechanisms of the ethylene cation have been investigated in our laboratory by ab initio calculations at the configuration interaction (CI) level. A preliminary paper has already been published [1] . However, a more accurate investigation is under way on which we report briefly here, although our current calculations and conclusions are by no means final.

Keywords

Potential Energy Surface Configuration Interaction Potential Energy Curve Conical Intersection Dissociation Mechanism 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1988

Authors and Affiliations

  • M. Oblinger
    • 1
  • A. J. Lorquet
    • 1
  • J. C. Lorquet
    • 1
  1. 1.Département de ChimieUniversité de LiègeLiège 1Belgium

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