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CHEM 333 - Quantum Theory and Spectroscopy

The course introduces students to the ideas of quantum mechanics, spectroscopy, and the electronic structure of atoms and molecules. Topics include the origins and postulates of quantum theory; applications to simple systems; the hydrogen atom; the aufbau principle of the elements; simple molecules. Spectroscopy and spectroscopic measurement; simple atomic spectra; infrared and Raman spectra of simple molecules; fluorescence; N.M.R.

CHEM 431/631 - Computational Chemistry for Chemists and Biochemists

Physical basis for molecular interactions and potentials for molecular simulations; Definitions of statistical ensembles, thermodynamic averages, and correlation functions; Periodic boudary conditions; Algorithms for molecular dynamics; Monte Carlo Methods; Introduction to ab initio and semi-empirical electronic structure theory.

CHEM 498Q/630Q - Statistical Mechanics

Topics include: Canonical ensembles, fluctuations, Boltzmann/Fermi-Dirac/Bose-Einstein statistics, ideal gases, classical statistical mechanics, chemical equilibria, quantum statistics, crystals and transition state theory