Interactions of slow electrons with biomolecules

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Interactions of Slow Electrons with Biomolecules

We report on results of computational studies of the interaction of slow electrons with the purine and pyrimidine bases of DNA, as well as with their associated nucleosides and nucleotides. The calculations focus on characterisation of the π∗ resonances associated with the bases and also provide general information on the scattering of slow electrons by these targets. High-level studies of the ...

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mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: a computational study

in this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. x-ben||taz∙∙∙y1,y2,y3 complexes (x = cn, f, cl, br, ch3 , oh and nh2, taz= s-triazine and y1,y2 and y3 denotes ph2f, hsf, and clf molecules) is introduced as a model. the results show that inte...

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Inelastic interactions of low-energy electrons with biological media

A study of inelastic interactions of low-energy electrons with biological media is of fundamental importance in the understanding of radiation-induced actions leading to the biological damage. In the present work, electron energy loss properties in liquid water and solid DNA were calculated based on the dielectric response theory for valence band electrons and atomic models for inner-shell elec...

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ژورنال

عنوان ژورنال: Journal of Physics: Conference Series

سال: 2007

ISSN: 1742-6596

DOI: 10.1088/1742-6596/88/1/012072