کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1194671 1492338 2009 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Microscopic studies of atom–water collisions
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Microscopic studies of atom–water collisions
چکیده انگلیسی

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(nn = 2–39) produced using this new apparatus are presented.

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.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Mass Spectrometry - Volume 285, Issue 3, 15 August 2009, Pages 143–148
نویسندگان
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