Browsing Faculty of Graduate Studies Online Theses by Subject "Computational chemistry, ab initio, DFT, solvated electron, guanine quadruplexes"
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Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes
(2010-04-16)The chemical bonds that hold molecules together are composed of electrons, and in order to study these microscopic systems, electronic structure calculations are often employed. This thesis describes the results from ...