<> "The repository administrator has not yet configured an RDF license."^^ . <> . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems"^^ . "The present work contains the results of our theoretical studies of Intermolecular Coulombic decay (ICD) following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems. We have investigated the ICD following Auger decay of the weakly bound Ne2, Ar2, and NeAr. It was shown that despite their seeming simplicity the noble gas clusters are lavish in interesting physical phenomena and provide the opportunity for studying various kinds of ultrafast and fast interatomic processes, such as: direct ICD, exchange ICD, electron transfer mediated decay (ETMD), processes of photon emission, and relaxation by coupling to the nuclear motion. Our results have largely expanded the qualitative and quantitative understanding of this type of cascade decay processes. A better interpretation of experimentally observed phenomena was achieved with our numerical data which were also used to computed ICD electron spectra within the framework of the time-dependent theory of wave packet propagation. The ICD following inner-valence ionization was studied for the hydrogen bonded H2O· · ·H2O, H2O· · ·HCHO, H2O· · ·H2CNH, H2O· · ·NH3, NH3 · · ·H2O, H2O· · ·H2S, and H2S· · ·H2O (p-donor · · · p-acceptor). This set of small hydrogen bonded systems contains seven types of hydrogen bonding which are typical for biochemistry and thus its investigation provides insight into the processes that can take place in living tissues. In particular, an estimate of the ICD in biosystems interacting with water (their usual medium) is made. This decay mode is expected to be a source of low-energy electrons proven to be of extreme genotoxic nature. The study of H2O· · ·H2O also includes the first quantitative description of the ICD of doubly ionized states created via Auger decay. For the purpose of our study we have used high-precision ab initio methods in optimizing the geometries and computing the ground state energies, as well as the single-, double-, and triple-ionization spectra of the studied species. The energy range of the emitted ICD electrons, as well as the kinetic energy of the dissociating ions produced by ICD is also reported. Potential energy curves of the different electronic states involved in the investigated processes were computed and analyzed where it was needed."^^ . "2011" . . . . . . . . "Spas"^^ . "Stoychev"^^ . "Spas Stoychev"^^ . . . . . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems (PDF)"^^ . . . "Thesis_v2_9_FINAL.pdf"^^ . . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems (Other)"^^ . . . . . . "indexcodes.txt"^^ . . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems (Other)"^^ . . . . . . "lightbox.jpg"^^ . . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems (Other)"^^ . . . . . . "preview.jpg"^^ . . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems (Other)"^^ . . . . . . "medium.jpg"^^ . . . "Intermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems (Other)"^^ . . . . . . "small.jpg"^^ . . "HTML Summary of #12685 \n\nIntermolecular Coulombic decay following ionization of noble gas dimers and of biochemically relevant hydrogen bonded systems\n\n" . "text/html" . . . "540 Chemie"@de . "540 Chemistry and allied sciences"@en . .