Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 79, Issue 4, Pages 701-704Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2010.08.040
Keywords
Mesogenic cluster; Liquid crystal; Ultrathin mesogenic layer; Molecular dynamics simulation (MD); 5CB
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The ultrathin film of mesogenic molecules 5CB confined between graphene walls has been investigated by molecular dynamics (MD) technique. The dynamical observables of 4-cyano-4-n-pentylbiphenyl (5CB) were calculated for several temperatures: the mean square displacement, translational and angular velocity autocorrelation function, and second-rank order parameter. (C) 2010 Elsevier B.V. All rights reserved.
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