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Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes

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Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 27))

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Abstract

The theoretical treatment of charge transfer processes in collisions of ions with atomic and molecular targets is developed using ab initio molecular calculations. An analysis of quantum and semi-classical dynamics is presented in order to determine the limit of validity of such methods. Accurate cross sections and rate constants are determined which provide important data for space chemistry models. Additionally, such theoretical approaches give an insight into the mechanism of these processes with consideration of anisotropic effects for collisions with diatomic molecular targets.

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Acknowledgements

This work was granted access to the HPC resources of [CCRT/ CINES/ IDRIS] under the allocation i2012081566 made by GENCI [Grand Equipement National de Calcul Intensif]. The support of the COST Action CM0805 ‘Chemical Cosmos’ is gratefully acknowledged.

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Authors and Affiliations

  1. Institut Lumière Matière, UMR5306, Université Lyon 1-CNRS, Université de Lyon, 69622, Villeurbanne Cedex, France

    M. C. Bacchus-Montabonel

Authors
  1. M. C. Bacchus-Montabonel
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Corresponding author

Correspondence to M. C. Bacchus-Montabonel .

Editor information

Editors and Affiliations

  1. Department of Physical Chemistry, Åbo Akademi University, Turku, Finland

    Matti Hotokka

  2. Uppsala University Department of Quantum Chemistry, Uppsala, Sweden

    Erkki J. Brändas

  3. Laboratoire de Chimie Physique, Paris, France

    Jean Maruani

  4. Instituto de Física Fundamental, CSIC, Madrid, Spain

    Gerardo Delgado-Barrio

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Bacchus-Montabonel, M.C. (2013). Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes. In: Hotokka, M., Brändas, E., Maruani, J., Delgado-Barrio, G. (eds) Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology. Progress in Theoretical Chemistry and Physics, vol 27. Springer, Cham. https://doi.org/10.1007/978-3-319-01529-3_6

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