1992 Volume 65 Issue 4 Pages 1057-1061
A molecular dynamics simulation using the atom–atom potential was applied to THE5 of a disk-like mesogenic molecule. The calculations were carried out in a canonical (NVT) ensemble. The results show that the time-averaged molecular properties and molecular ordering are in agreement with experiment. The effects of molecular flexibility in side chains are clearly demonstrated in the profile of the order parameters of each C–H bond.
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