Lecture Oliver Kühn
|12 February 2010||FWN-Building 5116.0107, Nijenborgh 4, 9747 AG, Groningen|
|Speaker:||Prof. Dr. Oliver Kühn|
|Affiliation:||Institut für Physik, Universität Rostock|
|Title:||Correlated Vibrational Dynamics of the Double Hydrogen Bonds in Solvated DNA Base Pairs|
|Date:||Fri Feb 12, 2010|
|Telephone:||+31 50 363 4369|
Hybrid QM/MM molecular dynamics simulations have been carried out for the Watson-Crick base pair of 9-ethyl-8-phenyladenine and 1-cyclohexyluracil in deuterochloroform solution at room temperature. Trajectories are analysed putting special attention to the correlation between the fundamental transition frequencies of the NH-stretching vibrations and the hydrogen bond lengths.
This correlation is shown to facilitate efficient determination of the line shape functions entering the linear and nonlinear infrared response functions. Besides the linear absorption spectrum, pump-probe as well photon echo signals will be presented and discussed in the context of correlated Hydrogen bond fluctuations.
|Last modified:||22 October 2012 2.30 p.m.|