CHEM 3373 Advanced Topics in Physical Chemistry
Level: III
Semester: 2
Number of Credits: 3
Prerequisites: CHEM 2370 and CHEM 3370
Course Description
Statistical Thermodynamics: microstates and configurations, Boltzmann distribution; Partition functions for translation, rotation and vibration; Calculation of Internal energy, entropy and Gibbs free energy and equilibrium constants. Computational chemistry: molecular mechanics- potential energy functions - stretching, bending and torsions. Molecular Orbital Theory - Ab initio Methods, Hartree-Fock approximation self-consistent field (SCF) theory, basis sets electron correlation. Comparison of available software and practical workshop.
Assessment
Coursework 40%
Final Examination - 2-hour written paper 60%
