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Computer simulations of Fréchet dendrimers in solutions
Includes bibliographical references (leaves 187-210).
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Chemistry
2014
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| _version_ | 1867613266722684928 |
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| access_status_str | Open Access |
| author | Simpson, Stephen Charles |
| author2 | Naidoo, Kevin |
| author_browse | Naidoo, Kevin Simpson, Stephen Charles |
| author_facet | Naidoo, Kevin Simpson, Stephen Charles |
| author_sort | Simpson, Stephen Charles |
| collection | Thesis |
| description | Includes bibliographical references (leaves 187-210). |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/6363 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:33:25.185Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2014 |
| publishDateRange | 2014 |
| publishDateSort | 2014 |
| publisher | Department of Chemistry |
| publisherStr | Department of Chemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/6363 Computer simulations of Fréchet dendrimers in solutions Simpson, Stephen Charles Naidoo, Kevin Moss, John R Chemistry Includes bibliographical references (leaves 187-210). The structure and dynamics of dendrimers in solution are studied through nanosecond atomistic Molecular Dynamics (MD) simulations of explicitly solvated Fréchet dendrimers, generations G1 to G5. The properties of these dendrimers are investigated in four solvent invironments: vacuum and water (representatives of poor solvents), and tetrahydrofuran (THF) and chloroform (representatives of good solvents). To establish the quality of the solvent on the conformation of the dendrimer, additional nanosecond MD simulations fo the dendrimers are performed, from both inititally folded and unfolded conformations. 2014-08-13T14:29:59Z 2014-08-13T14:29:59Z 2005 Doctoral Thesis Doctoral PhD http://hdl.handle.net/11427/6363 eng application/pdf Department of Chemistry Faculty of Science University of Cape Town |
| spellingShingle | Chemistry Simpson, Stephen Charles Computer simulations of Fréchet dendrimers in solutions |
| thesis_degree_str | Doctoral |
| title | Computer simulations of Fréchet dendrimers in solutions |
| title_full | Computer simulations of Fréchet dendrimers in solutions |
| title_fullStr | Computer simulations of Fréchet dendrimers in solutions |
| title_full_unstemmed | Computer simulations of Fréchet dendrimers in solutions |
| title_short | Computer simulations of Fréchet dendrimers in solutions |
| title_sort | computer simulations of frechet dendrimers in solutions |
| topic | Chemistry |
| url | http://hdl.handle.net/11427/6363 |
| work_keys_str_mv | AT simpsonstephencharles computersimulationsoffrechetdendrimersinsolutions |