Browsing OSU Dissertations by Subject "density functional theory"
Now showing items 1-3 of 3
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Computational studies of molybdenum oxide clusters and environmental corrosion of iron and zinc
(2014-07)This dissertation describes two creative activities. The first is a computational study of molybdenum oxide clusters and the other is an experimental study of the corrosion of metals. The first effort covers three topics. ... -
Development and applications of infrared structural biology
(2014-05)Aspartic acid (Asp), Glutamic acid (Glu) and Tyrosine (Tyr) often play critical roles at the active sites of proteins. Probing the structural dynamics of functionally important Asp/Glu and Tyr provides crucial information ... -
Probing hydrogen bonding interactions and proton transfer in proteins
(2006-07)Scope and Method of Study: Hydrogen bonding is a fundamental element in protein structure and function. Breaking a single hydrogen bond may impair the stability of a protein. It is therefore important to probe dynamic ...