1. Molecular mechanics. The MM3 force field for hydrocarbons. 1
2. Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamics
3. Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons
4. (a) The MM2 force field for hydrocarbons was first described byn N.L. Allinger, J. Am. Chem. Soc., 99 (1977) 8127. Extensions to functionalized molecules and all other sorts of special problems have been described in subsequent papers, which are summarized in Ref. 2b. The original version of the program (MM2(77)) is available from the Quantum Chemistry Program Exchange, Department of Chemistry, Bloomington, IN 47405, Program No. 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 is available to commercial users from Molecular Design Limited. The MM2 (90) program containing the results described in this paper will be available shortly through the same sources.