1. Taken mainly from the Ph.D. dissertation of L.Y. submitted to the University of Georgia in partial fulfillment of the Ph.D. degree, 1990.
2. Allinger and Yan are with the University of Georgia.
3. Li is currently at Syntex, 3401 Hillway Ave., Palo Alto, CA 94304.
4. and Molecular Mechanics, American Chemical Society, Washington, D.C., 1982.
5. a. The MM2 force field for hydrocarbons was first described in reference 5(b). Extensions to functionalzed molecules and other special problems were described in subsequent papers, which are summarized in reference 4. The original version of the program (MM2(77)) is available from the Quantum Chemistry Program Exchange, University of Indiana, Bloomington, Indiana 47405, Program 395. The latest version of the MM2 program, which is referred to as MM2(87), is available to academic users from the Quantum Chemistry Program Exchange, and to commercial users from Molecular Design Limited, 2132 Farallon Drive, San Leandro, California 94577.