Applications of Computational Chemistry and Molecular Modeling. 3 credits, 3 contact hours

Catalog description

Students are exposed to hands-on applications and fundamental aspects of computational chemistry and molecular modeling in organic, inorganic, bio- and physical chemistry. The course provides methods to determine the thermochemistry of a reaction, and strength (energy)of interactions by organic drug-like molecules with proteins. The course teaches the student to evaluate relative energy of different structures plus chemical species stability, reactivity and equilibrium ratios in chemical environments.