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Published in:
2013 | OriginalPaper | Chapter
6. Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processes
Author : M. C. Bacchus-Montabonel
Published in: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology
Publisher: Springer International Publishing
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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.