This project provides equipment for a computer facility for teaching computational chemistry and molecular modeling. Advances in computer technology and software in the last decade have made molecular modeling an indispensable tool for the chemist and have made it possible to introduce the subject into the undergraduate curriculum. The computer facility teaches students molecular modeling techniques through a progression of activities integrated into all major courses of the chemistry curriculum. These courses are General Chemistry, Organic Chemistry, Biochemistry, Physical Chemistry, Polymer Chemistry, Instrumental Analysis, and Computational Modeling. Students learn to (1) correlate molecular properties with electronic structure, (2) visualize molecules in three dimensions, (3) search databases, (4) simulate molecular movements, (5) compute ground state geometries, (6) correlate computed and observed properties, (7) discover structure-activity relationships, and (8) compute electronic structures. The computer facility is equipped with 20 CAChe Modeling Systems and Power Mac 6100 computers. Additional equipment includes two stereo viewing monitors and a high-resolution color laser printer.
