Description
CHEM 445. ADVANCED COMPUTATIONAL CHEMISTRY. Computational chemistry methods are used today in such diverse fields as neuroscience, pharmaceuticals, interstellar chemistry, and catalysis. This course will build upon the introduction to molecular modeling presented in Chemistry 245 and focus on ab initio methods of calculating properties and interactions of small molecules to solve chemical problems. Practical use of commercial software will constitute a major component of the students’ assessment. Two lectures per week. Prerequisite: Chemistry 245 and Corequisite: Chemistry 345; or Prerequisite: Chemistry 245, 342, and Mathematics 162. Alternate years, Spring semester only, two hours.