The project will integrate molecular modeling into six existing undergraduate chemistry courses in an innovative way which consists of combining modeling results with laboratory results, thus using an integrated approach to problem solving. The process of integrating modeling techniques will be progressive, starting with basic operations in lower level courses, adding more sophisticated applications in subsequent courses, until the student is capable of carrying out a mini-research project as part of a senior level course. Fundamental applications of modeling will be introduced in Organic Chemistry and in Chemical Applications of Microcomputers.Progressively more sophisticated applications will be taught in Advanced Techniques of Organic Chemistry and Biochemical Techniques and Instrumentation Lab, ultimately allowing students to perform mini-research projects in the senior level Advanced Organic Chemistry and Medicinal Chemistry. The impact of these changes will be to allow students for the first time to visualize molecular structures in their minimum energy conformation, calculate the relative energies of conformers, measure distances and angles between atoms and bonds, predict the outcome of physical measurements made later in the laboratory, or even predict the product of a chemical reaction that they will confirm by synthesis and subsequent instrumental analysis. Students will learn how chemistry is really done today in the chemical and pharmaceutical industries, using a discovery based approach to learning that should stimulate and sustain students' interest in chemistry.
