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Skip to Search Results- 20Graduate and Postdoctoral Studies (GPS), Faculty of
- 20Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations
- 2Chemistry, Department of
- 2Chemistry, Department of/Journal Articles (Chemistry)
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Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents
DownloadFall 2015
Aggregation of polyaromatic (PA) compounds has drawn great interest due to their wide impacts in areas such as petroleum processing. Despite the extensive studies on PA compounds, fundamental knowledge of their aggregation behaviors is still missing at atomistic level. For instance, it’s still...
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Molecular Dynamics Simulations of Polyethylenimine Mediated Nucleic Acid Complexation with Implications for Non-viral Gene Delivery
DownloadSpring 2013
Gene therapy is a promising therapeutic technique that involves delivering nucleic acids into cells. Polycations have evolved into a major category of gene carriers. Polyethylenimine (PEI) is one of the most effective polycationic carriers. Furthermore, modifying PEI with certain lipophilic...
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Spring 2016
Hybrids formed by biological entities and human-made nano-structures have been intensively studied in recent years due to their very interesting properties and applications. DNA-carbon nanotube (CNT) hybrid is one such material and the motivation of this PhD study. The interaction of DNA building...
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2005
Van Domselaar, G.H., Maiti, R., Wishart, D.S.
MovieMaker is a web server that allows short (~10 s), downloadable movies of protein motions to be generated. It accepts PDB files or PDB accession numbers as input and automatically calculates, renders and merges the necessary image files to create colourful animations covering a wide range of...
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Fall 2015
Solar energy holds great potential in securing humanity’s energy future in a sustainable manner. Unfortunately, the costs of silicon photovoltaics continue to impede the use of solar energy. Polymer solar cells (PSCs) can make solar energy more affordable due to their lower production costs....
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On the atomistic simulation approach towards the estimation of the polymer/solvent mutual diffusion coefficient
DownloadSpring 2015
With increasing computational power, the multi scale simulation of materials is getting more possible. To show the ability of this method to address macro scale problems, in this work, the problem of polymer/solvent mutual diffusion was selected based on its scientific and industrial...
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On the Atomistic Simulation Approach Towards the Structural Stability of the ZnS Nanoparticles
DownloadFall 2015
Recently, ZnS quantum dots have attracted a lot of attention since they can be a suitable alternative for cadmium-based quantum dots, which are known to be highly carcinogenic for living systems. Suitable optoelectronic properties and non-toxic nature of ZnS quantum dots capacitate exiting...