1. Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
2. Molecular Mechanics;Burkert,1982
3. The computations were carried out with a PC version of the MM2 program [2e] enhanced in our laboratory with the implementation of MM2 hydrogen bonding parameters [2f]. Corrections were made in the program according to Ref. 2g, and electrostatic corrections were added to the MM2 aromatic force field, as proposed by Allinger and Lii [2h]. Such computational protocol we found to be adequate enough for estimating steric interactions in molecules with phenyl groups on neighbouring carbon atoms.