Chemistry: Recent submissions
Now showing items 626-630 of 897
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Mutagenicity of 5-bromouracil : quantum chemical study
(University of St Andrews, 2015-11-30) - ThesisThis thesis describes a computational investigation of the mutagenicity of 5-bromouracil (BrU). In Chapter 1, three models of spontaneous and BrU-induced base mispairing (rare tautomer, wobble pair, and ion) are ... -
A synthetic, spectroscopic and structural examination of phosphorus, arsenic and antimony peri-substituted acenaphthenes
(University of St Andrews, 2015-06-24) - ThesisDonor–acceptor complexes have been known for over a century and enjoy a long list of applications in chemistry. In this thesis, the dative interaction between phosphorus and its two heavier congeners, arsenic and antimony, ... -
Group 11 N-heterocyclic carbenes : synthesis, characterisation and catalytic applications
(University of St Andrews, 2015-06-24) - ThesisAs part of a worldwide effort to develop efficient catalysts for use in organic chemistry and in the synthesis of highly valuable molecules, work performed during the course of my stay in St Andrews has focused on the ... -
Effect of gem-difluorination on the conformation of selected hydrocarbon systems
(University of St Andrews, 2014-06-25) - ThesisOwing to its unique electronic properties, the CF₂ group has the potential to affect the conformation and polarity of molecules. The Introduction provides an overview of the conformational effects induced by the incorporation ... -
Combined theoretical and experimental investigations of porous crystalline materials
(University of St Andrews, 2014-06-25) - ThesisThis thesis combines solid-state nuclear magnetic resonance (NMR) spectroscopy, X-ray diffraction (XRD), chemical synthesis, isotopic enrichment and density-functional theory (DFT) calculations to provide insight into a ...