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Theory Days on the Irradiation of Biomolecules

Toulouse, 2,3,4 December 2009

par Mai Seve-Dinh - 15 décembre 2009

First announcement

Scientific Program

Talks :
P. Moretto-Cappelle & A. Le Padellec
Irradiation of biomolecules : experimental investigations

D. Shemesh
Photoinduced dynamics in short peptides (compressed file)

J. Kohanoff
First-principles simulations of the interaction of ionic projectiles with liquid water and ice

R. Vuilleumier
Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water : Direct and indirect effects

F. Gatti
Quantum Dynamics with the Multi-Configuration Time-Dependent Hartree (MCTDH) Approach. Applications to Infra-red spectroscopy and Intramolecular Energy Redistribution.

E. Dumont
What can hybrid methods tell us about electron attachment to biomolecules ? (compressed file)

E. Cauët
Ionization and charge transfer in DNA from Ab Initio and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations (compressed file)

P. M. Dinh
Dynamics of small organic molecules in strong electromagnetic fields