Theoretical Study of a Homogeneous Catalytic Reaction: The Chlorotris-(Triphenylphosphine)Rhodium(I)-Catalyzed Hydrogenation of Olefins

  • A. Dedieu
  • A. Strich
  • A. Rossi
Part of the Quantum Theory Chemical Reactions book series (QTCR, volume 2)


Chemical organic reactions have been the subject of numerous theoretical studies in the past few years. Much less attention has been paid however, to organometallic and catalytic reactions, due to the greater complexity of the systems to be studied and to the greater computational effort to be put in. As a consequence most theoretical investigations 1–11 devoted to catalytic reactions have been limited to semi-empirical methods 1–4, 7, 9–11.


Potential Energy Surface Catalytic Cycle Oxidative Addition Phosphine Ligand Interaction Diagram 
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Copyright information

© D. Reidel Publishing Company 1980

Authors and Affiliations

  • A. Dedieu
    • 1
  • A. Strich
    • 1
  • A. Rossi
    • 1
  1. 1.Laboratoire de Chimie Quantique E.R. n° 139 du C.N.R.S.Université Louis PasteurStrasbourgFrance

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