Monte Carlo calculations of the effects of conformational behaviour of R1(CH2)nR2 on net dipole moment and other configurationally dependent properties

Summery form: Monte Carlo calculations are presented of the molecular configurational behaviour of R₁(CH₂)_nR₂ where R₁ and R₂ are dipolar, which serve to determine average dipole moment, chain extension, etc. The techniques adopted are developments of the work by Noti Lal, et al, employing the Metropolis method to restrict the range of conformations needed in an exploration. The computations are particularly aimed at investigating the effects of chain length and end group polarity as compared to the unsubstituted n alkane parent molecules.