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Quantum Chemical PES Calculations: The Proton Transfer Reactions

  • D. Heidrich
  • W. Kliesch
  • W. Quapp
Part of the Lecture Notes in Chemistry book series (LNC, volume 56)

Abstract

In this chapter we discuss
  • ▸ the characterization and visualization of selected reaction PES (proton transfer reactions, Sect. 4.1),

  • ▸ how approximations in the quantum chemical methods may determine the quality of reaction PES (Sect. 4.2), both along with

  • ▸ recent results for bimolecular single proton transfer reactions in comparison to experimental data.

Keywords

Proton Transfer Molecular Complex Proton Affinity Proton Transfer Reaction Single Proton Transfer 
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

© Springer-Verlag Berlin Heidelberg 1991

Authors and Affiliations

  • D. Heidrich
    • 1
  • W. Kliesch
    • 2
  • W. Quapp
    • 2
  1. 1.Sektion ChemieUniversität LeipzigLeipzigDeutschland
  2. 2.Sektion MathematikUniversität LeipzigLeipzigDeutschland

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