Prof. John E. McGradyInorganic Chemistry LaboratoryThe group's research interests focus on the electronic structure of inorganic systems. We apply a variety of computational methods, from semi-empirical theories such as extended Huckel theory to multi-configurational SCF to explore problems of structure, spectroscopy and reactivity. The majority of our work involves close collaboration with experimental groups involved in the study of electronic structure, magnetochemistry, electrochemistry and reactivity. You can find out more about our research interests and see a list of publications. |
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chemistry Zintl-ion clusters Low-valent metal oxides Mechanism in organometallic chemistry Spectroscopy and Magnetism Electron Transport through Molecules |
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Physical and Theoretical Chemistry Laboratory, South Parks Road, University of Oxford, OX1 3QZ, United Kingdom.