Computers are widely used in problem solving, spectrum simulation, visualization of orbitals and reaction pathways, design of complex molecules and self-assembly molecules, and calculation of the minimum energy of a structure or transition state. To provide our undergraduates with practical experience in computers, we are integrating computer programs and practice into our undergraduate chemistry curriculum. Experiments in freshman chemistry courses include valence theory and visualization of orbital interference. Sophomore classes, Organic Chemistry Laboratories and General Organic Chemistry Laboratory, focus on the simulation of 1H and 13C NMR spectra, calculation of lowest energy organic structures, transition states, visualization of reaction mechanisms, and design of complex molecules. In the Junior year, Physical Chemistry II demonstrates computer modeling of chemical phenomena. In the senior year, computer simulation of basic electronic circuits and computer interfacing, computer simulation of IR and NMR spectra, and chromatographic separation are taught. A new course on supramolecular chemistry is being developed. It is estimated that over 4,000 students annually in our undergraduate program will be affected by the proposed project.
