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International Journal of Mass Spectrometry (2009) 143-148
Microscopic studies of atom-water collisions
Zhiping P. Wang1, 2, Phuong Mai Dinh1, P.-G. Reinhard3, Eric Suraud1, G. Bruny4, C. Montano4, S. Feil4, S. Eden4, H. Abdoul-Carime4, B. Farizon4, M. Farizon4, S. Ouaskit4, T.D. Märk5
(2009)

The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms, ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex reaction mechanisms, we have initiated a joint experimental and theoretical investigation with the aim to make direct comparisons between experimental and theoretical results. As a first step, studies of collisions of a water molecule with a neutral projectile (C atom) at high velocities (>= 0.1 a.u.), and with a charged projectile (proton) at low velocities (<= 0.1 a.u.) have been studied within the microscopic framework. In particular, time-dependent density functional theory (TDDFT) was applied to the valence electrons and coupled non-adiabatically to molecular dynamics (MD) for ionic cores. Complementary experimental developments have been carried out to study projectile interactions with accelerated (<= 10 keV) and mass-selected cluster ions. The first size distributions of protonated water cluster ions $H^+(H_2O)_n(n = 2 − 39)$ produced using this new apparatus are presented.
1 :  LPT - Laboratoire de Physique Théorique - IRSAMC
2 :  Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology
3 :  Institut für Theoretische Physik
4 :  IPNL - Institut de Physique Nucléaire de Lyon
5 :  Institut für Ionenphysik und Angewandte Physik
Systèmes de Fermions Finis - Agrégats
Physique/Physique/Agrégats Moléculaires et Atomiques
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