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Tesi di dottorato in scienze matematiche e fisiche >
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http://hdl.handle.net/2108/624
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| DC Field | Value | Language |
|---|
| contributor.advisor | Andreani, Carla | - |
| contributor.advisor | Del Sole, Rodolfo | - |
| contributor.advisor | Pulci, Olivia | - |
| contributor.advisor | Senesi, Roberto | - |
| contributor.author | Garbuio, Viviana | - |
| date.accessioned | 2008-09-08T08:41:11Z | - |
| date.available | 2008-09-08T08:41:11Z | - |
| date.issued | 2008-09-08T08:41:11Z | - |
| identifier.uri | http://hdl.handle.net/2108/624 | - |
| description | 19. ciclo | en |
| description.abstract | Water is the major chemical constituent of our planet's surface and it is
essential for living organism survival; many biochemical and industrial
processes occur in aqueous solution and the role of the solvent in the
reactions is crucial. The comprehension of the chemical and physical nature
of water has been a long-standing goal of science, and liquid water continues
to attract intense interest and motivate a large number of experimental
and theoretical works.
Recently, however, the theoretical studies of water have mostly focused on
its structure and ground state properties whereas less effort has been
dedicated to its electronic structure and optical absorption spectrum.
As a consequence, experimental data about excited states are not yet
completely understood.
Simultaneously, in the last years, great attention has been devoted to the
study of water confined in different nanoporous systems, or in proximity of
macromolecules and surfaces, because of its biological and technological
importance (water in biology is always confined).
Up to now, however, there is no general theory predicting the behavior of
confined liquids or the relative importance of surface interaction versus
confinement.
The present work focuses on two complementary aspects of water: its excited
state properties, very important in many chemical reactions and therefore
fundamental to advance in many research fields, and the proton microscopic
dynamics in confined water, which is interesting for many biological processes
such as catalysis, protein folding or ionic transport in membranes.
These topics are faced with different investigative approaches, both
theoretical and experimental. The electronic and optical properties of
liquid water are studied with ab-initio theoretical calculations, taking into
account both self-energy and excitonic effects in the framework of many-body
perturbation theory. The study of the proton microscopic dynamics of confined
water has been instead made with deep inelastic neutron scattering experiments,
performed at the ISIS spallation neutron source. | en |
| format.extent | 1416178 bytes | - |
| format.mimetype | application/pdf | - |
| language.iso | en | en |
| subject | water | en |
| subject | optical properties | en |
| subject | many-body theory | en |
| subject | momentum distribution | en |
| subject | neutron scattering | en |
| subject.classification | FIS/03 Fisica della materia | en |
| title | Microscopic dynamics and excited state properties of liquid water | en |
| type | Doctoral thesis | en |
| degree.name | Dottorato in fisica | en |
| degree.level | Dottorato | en |
| degree.discipline | Facoltà di Scienze Matematiche Fisiche e Naturali | en |
| degree.grantor | Università degli studi di Roma Tor Vergata | en |
| date.dateofdefense | A.A. 2006/2007 | en |
| Appears in Collections: | Tesi di dottorato in scienze matematiche e fisiche
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Files in This Item:
| File |
Description |
Size | Format |
|---|
| tesi.pdf | | 1382Kb | Adobe PDF | View/Open |
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