Anisotropic effect in collisions of ions with biomolecules

An overview of the anisotropy effect in charge transfer processes induced by collision of ions on biomolecular targets is presented. The theoretical treatment includes ab‐initio molecular calculations of the potential energy curves and couplings followed by a semi‐classical collision dynamics. The m...

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Bibliographic Details
Published in:International journal of quantum chemistry 2011-02, Vol.111 (2), p.520-527
Main Authors: Bacchus-Montabonel, M. C., Tergiman, Y. S., Talbi, D.
Format: Article
Language:English
Subjects:
ab-initio calculations
Astrophysics
charge transfer processes
Chemical Sciences
ion-molecule and biomolecule collisions
or physical chemistry
Physics
Sciences of the Universe
semiclassical collision treatment
Solar and Stellar Astrophysics
Theoretical and
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Summary:An overview of the anisotropy effect in charge transfer processes induced by collision of ions on biomolecular targets is presented. The theoretical treatment includes ab‐initio molecular calculations of the potential energy curves and couplings followed by a semi‐classical collision dynamics. The method is presented for the case of direct processes by the example of the collision of C4+ ions on uracil and halouracil targets, and for the case of indirect processes corresponding to the action of ions on the medium, by the example of the C2+ + CO collision system. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.22542