Ultrafast nonadiabatic fragmentation dynamics of biomolecules

Fragmentation of doubly charged biomolecules, uracil and amino acids, has been investigated using different ab inito Molecular Dynamics Methods. Time-Dependent Density Functional Theory Molecular Dynamics give a description of the non-adiabatic effects, the charge redistributions that occur in the first few femtoseconds and reveal the importance of the chemical environment. The combination of different techniques allow us to interpret the complex multicoincident spectra obtained experimentally when the molecules collides with ions or are excited with synchrotron radiation.


Published in:
Xxviii International Conference On Photonic, Electronic And Atomic Collisions (Icpeac), 488
Presented at:
28th International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC), Lanzhou, PEOPLES R CHINA, JUL 24-30, 2013
Year:
2014
Publisher:
Bristol, Iop Publishing Ltd
ISSN:
1742-6588
Laboratories:




 Record created 2014-08-29, last modified 2018-09-13


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