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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
Start: 11.00
Location: FWN-Building 5116.0107
Host: J. Knoester
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.