Microscopic studies of atom-water collisions

Wang ZP, Dinh PM, Reinhard PG, Suraud E, Bruny G, Montano C, Feil S, Eden S, Abdoul-Carime H, Farizon B, Farizon M, Ouaskit S, Märk TD (2009)

Publication Type: Journal article

Publication year: 2009

Journal

International Journal of Mass Spectrometry Elsevier

Book Volume: 285

Pages Range: 143-148

Journal Issue: 3

DOI: 10.1016/j.ijms.2009.05.008

Abstract

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+(H2O)n(n = 2-39) produced using this new apparatus are presented. © 2009 Elsevier B.V. All rights reserved.

Authors with CRIS profile

Paul-Gerhard Reinhard Naturwissenschaftliche Fakultät

Involved external institutions

Université Toulouse III - Paul Sabatier FR France (FR) Université de Lyon (UDL) FR France (FR) Leopold-Franzens-Universität Innsbruck / University of Innsbruck AT Austria (AT)

How to cite

APA:

Wang, Z.P., Dinh, P.M., Reinhard, P.-G., Suraud, E., Bruny, G., Montano, C.,... Märk, T.D. (2009). Microscopic studies of atom-water collisions. International Journal of Mass Spectrometry, 285(3), 143-148. https://doi.org/10.1016/j.ijms.2009.05.008

MLA:

Wang, Z. P., et al. "Microscopic studies of atom-water collisions." International Journal of Mass Spectrometry 285.3 (2009): 143-148.

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