NSF Award
9452373
9452373 Mueller Molecular orbital and molecular mechanics calculations are fast becoming routine tools of the practicing chemist. Furthermore, these methods when combined with high quality computer graphics, which allow students to manipulate and rotate structures, can provide insights into many concepts of structure and bonding. This proposal requests support for the purchase of a network of four Silicon Graphics Indy workstations equipped with the software package Spartan. The use of these workstations and program will be implemented in both lecture and laboratory in the sophomore organic chemistry courses. Building on this foundation, we will use the workstations for student projects in Advanced Lab courses and in Physical and Medicinal chemistry courses. Because SGI has developed a GUI that will allow students to operate the system without knowledge of UNIX and because Spartan has graphical features that will allow students to easily perform calculations and manipulate 3D structural and orbital representations, we believe that this program is appropriate for sophomore organic students. Since the relationship between structure and reactivity are covered through the topics of frontier molecular orbital theory, stereochemistry, conformational effects, and steric strain in organic chemistry, this course provides an ideal entry point. Students will receive supervised and structured training on the use of these instruments in fall term organic. Having become familiar while sophomores with the operation of the program running on the workstation, upperclassmen will be encouraged to use these tools for more sophisticated applications in advanced level laboratory and lecture courses.
