Computer simulations of Fréchet dendrimers in solutions

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dc.contributor.advisorNaidoo, Kevinen_ZA
dc.contributor.advisorMoss, John Ren_ZA
dc.contributor.authorSimpson, Stephen Charlesen_ZA
dc.date.accessioned2014-08-13T14:29:59Z
dc.date.available2014-08-13T14:29:59Z
dc.date.issued2005en_ZA
dc.descriptionIncludes bibliographical references (leaves 187-210).en_ZA
dc.description.abstractThe 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.en_ZA
dc.identifier.apacitationSimpson, S. C. (2005). <i>Computer simulations of Fréchet dendrimers in solutions</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Chemistry. Retrieved from http://hdl.handle.net/11427/6363en_ZA
dc.identifier.chicagocitationSimpson, Stephen Charles. <i>"Computer simulations of Fréchet dendrimers in solutions."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Chemistry, 2005. http://hdl.handle.net/11427/6363en_ZA
dc.identifier.citationSimpson, S. 2005. Computer simulations of Fréchet dendrimers in solutions. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Simpson, Stephen Charles AB - 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. DA - 2005 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2005 T1 - Computer simulations of Fréchet dendrimers in solutions TI - Computer simulations of Fréchet dendrimers in solutions UR - http://hdl.handle.net/11427/6363 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/6363
dc.identifier.vancouvercitationSimpson SC. Computer simulations of Fréchet dendrimers in solutions. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Chemistry, 2005 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/6363en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Chemistryen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.subject.otherChemistryen_ZA
dc.titleComputer simulations of Fréchet dendrimers in solutionsen_ZA
dc.typeDoctoral Thesis
dc.type.qualificationlevelDoctoral
dc.type.qualificationnamePhDen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceThesisen_ZA
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