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Anisotropic effect in collisions of ions with biomolecules
Author(s) -
BacchusMontabonel M. C.,
Tergiman Y. S.,
Talbi D.
Publication year - 2011
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22542
Subject(s) - collision , ion , ab initio , anisotropy , charge (physics) , biomolecule , action (physics) , quantum , chemistry , ab initio quantum chemistry methods , molecular dynamics , atomic physics , physics , chemical physics , computational chemistry , molecule , quantum mechanics , biochemistry , computer security , computer science
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 C 4+ 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 C 2+ + CO collision system. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011