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Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations
Includes abstract.
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Computer Science
2015
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| _version_ | 1867613169371840513 |
|---|---|
| access_status_str | Open Access |
| author | Boscaino, Annalisa |
| author2 | Naidoo, Kevin J |
| author_browse | Boscaino, Annalisa Naidoo, Kevin J |
| author_facet | Naidoo, Kevin J Boscaino, Annalisa |
| author_sort | Boscaino, Annalisa |
| collection | Thesis |
| description | Includes abstract. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/12231 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:31:52.071Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2015 |
| publishDateRange | 2015 |
| publishDateSort | 2015 |
| publisher | Department of Computer Science |
| publisherStr | Department of Computer Science |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/12231 Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations Boscaino, Annalisa Naidoo, Kevin J Computer Science Includes abstract. Includes bibliographical references. The major part of this thesis focuses on investigating dynamic hydration behaviour of a series of hexacycylic molecules in water, by using computational techniques validated through ultrasound interferometry experiments. The water taking part to the diffusive motion of the solutes has been characterised by performing mainly time-dependent functions (which allows to simulate hydration numbers) and ring puckering analysis, to understand the conformational features and the role of the functional groups on the flexibility of the solutes. 2015-01-15T11:32:12Z 2015-01-15T11:32:12Z 2010 Master Thesis Masters MSc http://hdl.handle.net/11427/12231 eng application/pdf Department of Computer Science Faculty of Science University of Cape Town |
| spellingShingle | Computer Science Boscaino, Annalisa Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| thesis_degree_str | Master's |
| title | Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| title_full | Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| title_fullStr | Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| title_full_unstemmed | Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| title_short | Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| title_sort | resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations |
| topic | Computer Science |
| url | http://hdl.handle.net/11427/12231 |
| work_keys_str_mv | AT boscainoannalisa resolvingthehydrationofhexacyclicsystemsusingultrasonicinterferometryandcomputersimulations |