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.
WOS:000338432500037
2014
Bristol
8
Journal of Physics Conference Series
488
REVIEWED
Event name | Event place | Event date |
Lanzhou, PEOPLES R CHINA | JUL 24-30, 2013 | |