Additive Schemes for Calculating the Properties of Alkane Conformers Including Interdependent Bond Rotation. I. Enthalpy

A technique is suggested for evaluating the properties of alkane conformers using the parameters of internal rotation of interdependent C-C bonds. To determine the mean conformational composition of a rotational equilibrium mixture of alkane conformers, one need not exhaust the latter because the contribution of the conformation energy to alkane enthalpy can be expressed in terms of the product of tensors with further convolution over indices.