D. Galisteo et al., EMPIRICAL RELATIONSHIP BETWEEN STRUCTURE AND MOLECULAR OPTICAL-ROTATION IN CYCLOHEXANE DERIVATIVES .2., Journal of molecular structure, 354(1), 1995, pp. 81-87
Dihedral angle sines have been related to the molecular rotation value
s of some di-, tri- and tetrasubstituted cyclo-hexane derivatives. For
every compound, dihedral angles were obtained by optimization of thei
r geometry using a molecular mechanics MM2 program. In general, a good
concordance with experimental values was obtained.