Graduate Molecular Modeling Exercises

Created and assembled by Dr. Ron Magid
Department of Chemistry
University of Tennessee

Web site courtesy of the Glactone Project funded by the Chancellor of the University System of Georgia

These molecular modeling problems were developed at the University of Tennessee for use in graduate organic courses there. This Web site divides the problems into approximately 20 categories for ease of use. The original problem set numbers were kept to facilitate cross-referencing among the problems. These problems are provided as service to the educational community. They are not in the public domain and are not to be used for commercial purposes or financial gain. Please give proper attribution when using the problem sets.

There are several problems in each of the following catagories

• adamantane derivatives
• alkanes, open chain: energetics and conformation
• alkenes: energetics and conformation
• alkynes
• C20 class hydrocarbons
• conformational analyses of various classes of hydrocarbons
• conjugation and structure
• Cope reactions
• cyclohexane derivatives, most problems on axial/equatorial issues
• cyclophane problems
• Diels-Alder reactions
• kinetics
• mechanisms
• miscellaneous problems
• natural products
• nitrogen-containing molecules
• nonbonded interactions and structure
• oxygen- and sulfur-containing molecules
• photochemically-induced reactions
• planar carbons: synthetic approaches
• rotation about bonds
• strain energy
• thermodynamics
• suggestions for books and articles