(3 units). This course builds upon basic quantum mechanics introduced in earlier courses with the goal of introducing students to modern quantum chemical methods for investigating molecular properties, reaction thermodynamics and reaction mechanisms. Quantum mechanical methods and theory for studying many electron systems such as molecules will be introduced, including Hartree-Fock theory, semi-empirical methods, and density functional theory. Practical, working knowledge of quantum chemical calculations and molecular modeling that are typically reported in the current chemical literature will be provided through hands-on exercises using commercial software packages. Course Component: Lecture Prerequisite: CHM 2330.
(3 units). This course builds upon basic quantum mechanics introduced in earlier courses with the goal of introducing students to modern quantum chemical methods for investigating molecular properties, reaction thermodynamics and reaction mechanisms. Quantum mechanical methods and theory for studying many electron systems such as molecules will be introduced, including Hartree-Fock theory, semi-empirical methods, and density functional theory. Practical, working knowledge of quantum chemical calculations and molecular modeling that are typically reported in the current chemical literature will be provided through hands-on exercises using commercial software packages. Course Component: Lecture Prerequisite: CHM 2330.
