Course subject: Chemistry (CHEM)

Introduction: crystals, basic concepts; space groups; the reciprocal lattice; x-ray diffraction; the phase problem; structure factors; electron density; small molecule structure solution, structure refinement, structure results, journals and data bases, paper writing.

Free electron, Hueckel and extended Hueckel methods for molecules and clusters. Perturbation theory. Applications of group theory in inorganic chemistry; Jahn-Teller effects in molecular and solids. Energy bands in one, two and three dimensions.

Reactions, structure and bonding of organometallic compounds of transition and non-transition metals.

Instrumental components and optimum application; rudiments of design; electrical, spectral, migrational and other methods.

Material to be covered will be drawn from the following topics: Diffusion; Isolation of organic material from the matrix; Chromatographic techniques - principles of chromatographic separations; Gas (GLC, GSC), Liquid (LLC, LSC, GPC, IEC), Supercritical Fluid (SFC) Chromatographies; GC-MS, GC-FTIR; Electrophoresis; Flow field fractionation.

Modern surface analysis: description and importance of surfaces. Surface area determinations. High surface area solids, supports. Scanning electron microscopy: principles and applications. Auger electron spectroscopy. Applications in metallurgy and materials science. Depth profiling. ESCA: elemental compositions and studies of catalyst surfaces. SIMS. Infrared spectroscopy. Studies of supported metal and metal oxides. Acid surface sites and their role in catalysis. Scanning tunnelling microscopy; theory and applications. Single crystal surfaces. LEED. Studies of chemisorption.

Discussion of specialized topics related to the research interests of the members of the Centre. For example, recent offerings have included: Metalloproteins and Metalloenzymes; Heme Proteins; Chemistry of Enzymatic Reaction Mechanisms; Peptides - Synthesis, Structure and Function; Food Enzymology; Advanced Microbial Physicology; NMR in Biological Systems.

Discussion of the underlying factors contributing to enzyme, abzyme and ribozyme catalysis.

Discussion of specialized topics related to the research interests of the members of the Centre. Special topics could include for example: theory of intermolecular forces; density matrices; configuration interaction; correlation energies of open and closed shell systems; kinetic theory and gas transport properties; theory of the chemical bond.

Approximate solutions of the Schrodinger equation and calculations of atomic and molecular properties.

Empirical analysis. Kinetic theory of gases. Potential energy surfaces. Unimolecular rates. Relaxation and steady state methods. Diffusion rates. Rates between polar molecules. Energy transfer.

Two or three topics from a range including: bio-organic chemistry; environmental organic chemistry; free radicals; heterocyclic molecules; molecular rearrangements; organometallic chemistry; photochemistry; natural products.

The synthesis of organic compounds is discussed and emphasis is placed on the design of synthetic routes. Examples drawn from the literature are used to illustrate this synthetic planning.

Linear free energy relationships; substituent effects and reactive intermediates.

The physical properties of polymers are considered in depth from a molecular viewpoint. Rubber elasticity, mechanical properties, rheology and solution behaviour are quantitatively treated.

Discussion of specialized topics of polymer chemistry related to the research interests of the faculty or prominent scientific visitors. Special topics could include, for example, polymer stabilization and degradation; mechanical properties; polymer principles in surface coatings; organic chemistry of synthetic high polymers; estimation of polymer properties; reactions of polymers; polymerization kinetics.