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ENERGY 252: Chemical Kinetics Modeling

Fundamentals of chemical reaction kinetics in homogeneous and heterogeneous reaction systems from a molecular perspective. Development and application of the theory of chemical kinetics, including collision, transition state, and surface reactivity approaches. Relationships between thermodynamics and kinetics to overall mechanism predictions. Introduction to Gaussian 03. Lab involves chemical modeling including ab initio electronic structure calculations (Hartree-Fock, configuration interaction, coupled cluster, and many-body pertrubation theory) and thermodynamic predictions.
Terms: not given this year | Units: 3 | Grading: Letter (ABCD/NP)
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