Chemistry (12) This project establishes molecular modeling facilities to implement visualization, molecular modeling and computational chemistry in a multi-tiered approach. These facilities are being used by all students taking chemistry from on- or off-campus sites. The equipment required is a SGI Origin 200 server and two SGI R5000 02 workstations. The multi-tiered approach has the following components: (1) Freshman Level: Molecular modeling is being used as a visualization tool for the investigation of molecular structure and its role in property determination. (2) Sophomore Level: Organic molecules are being analyzed using simple calculations involving molecular mechanics and semi-empirical methods to explain structure, reactivity and reaction mechanisms. (3) Junior Level: Quantum mechanics are being used to understand the strengths and weaknesses at the different levels (ab initio, semi-empirical, molecular mechanics) of calculation. (4) Senior Level: Molecular modeling is being used as a theoretical basis to explain chemical phenomena observed in experiments in an Advanced Laboratory sequence and in research projects. Many of the exercises used are based on recent articles in the literature (Journal of Chemical Education, Chemistry Educator) developed as a result of NSF-ILI support at a number of undergraduate institutions. Many have been piloted to some degree; full implementation is being carried out over the two year period. All students (approximately 500 students/year) taking chemistry courses are being impacted. Formal evaluation and assessment of the project will be carried out by an educational specialist.
