Potential energy surface of 4-hexyl-4′-cyanobiphenyl (6CB) on graphite surface: a DFT study with van der Waals corrections
Author:
Publisher
Informa UK Limited
Subject
Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry
Link
http://www.tandfonline.com/doi/pdf/10.1080/08927022.2011.557833
Reference30 articles.
1. Liquid Crystal Properties of the n-Alkyl-cyanobiphenyl Series from Atomistic Simulations with Ab Initio Derived Force Fields
2. Atomistic Simulation of a Nematogen Using a Force Field Derived from Quantum Chemical Calculations
3. Computer modelling of the 4-n-alkyl-4′-cyanobiphenyls adsorbed on graphite: energy minimizations and molecular dynamics of periodic systems
4. Computer modelling of the structure of 4-n-octyl-4′-cyanobiphenyl adsorbed on graphite
5. Orientation of liquid crystal monolayers on polyimide alignment layers: A molecular dynamics simulation study
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