DocumentCode :
3747311
Title :
Monte Carlo calculations of the effects of conformational behaviour of R1(CH2)nR2 on net dipole moment and other configurationally dependent properties
Author :
M.R. Belmont
Author_Institution :
University of Exeter, UK
fYear :
1987
fDate :
7/1/1987 12:00:00 AM
Firstpage :
161
Lastpage :
162
Abstract :
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.
Keywords :
Monte Carlo methods
Publisher :
ieee
Conference_Titel :
Conduction and Breakdown in Dielectric Liquids, 1987. ICDL. Ninth International Conference on
Type :
conf
Filename :
7408823
Link To Document :
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