Browsing Faculty of Graduate Studies Online Theses by Subject "Density Functional Theory, dispersion interactions, van der Waals complexes, electric fields, DNA base pairs, double proton transfer"
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Density Functional Theory: Dispersion Interactions & Biological Applications
(2012-09-17)London or dispersion interactions are weak van der Waals (vdW) interactions. They are important in determining the structure and properties of many chemical and biochemical systems. In this thesis, an optimizer using the ...