Unperturbed dimensions of cyclochain polymers

The conformational parameters of three polyoxadiazoles were calculated by a direct computer simulation assuming free rotation about virtual bonds. The results obtained proved to be close to those derived from viscosity and sedimentation experiments.     

Application of molecular mechanics method to structural calculations of π-complexes of transition metals

A. N. Nesmeyanov Institute of Heteroorganic Compounds. Translated from zhurnal Strukturnoi Khimii, Vol. 28, No. 4, pp. 3–13, July–August, 1987.     

Molecular structure of dicumyl peroxide

Conclusions It has been shown by x-ray diffraction analysis that the peroxide group in. dicumyl peroxide has a planar transoid conformation as in the crystals of its analogs (bis(triphen-ylmethyl) peroxide and di-tert-butyl peroxide); and so this conformation is the preferred one for peroxides with two tertiary hydrocarbon substituents. This conclusion is supported by the results of conformational calculations carried out using MNDO and molecular mechanics.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 4, pp. 791–795, April, 1988.