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Molecular Simulation Volume 4, 1989 - Issue 1-3
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Original Articles

Structure-Property Relationships in Liquid Crystals: Can Modelling do Better than Empiricism?

D. A. Dunmur Department of Chemistry, University of Sheffield, Sheffield, S3 7HF, UK
&
M. R. Wilson Department of Chemistry, University of Sheffield, Sheffield, S3 7HF, UK; H H Wills Physics Laboratory, Royal Fort, Tyndall Avenue, Bristol, BS8 1TL, UK.
Pages 37-59 | Received 01 Jan 1989, Accepted 01 Mar 1989, Published online: 23 Sep 2006

Citations (12)

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EdwardP. Socci, BarryL. Farmer, TimothyJ. Bunning, Ruth Pachter & W. Wade Adams. (1993) Molecular dynamics and X-ray scattering simulations of cyclic siloxane-based liquid crystal mesogens. Liquid Crystals 13:6, pages 811-827.
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M.R. Wilson & M.P. Allen. (1992) Structure of trans-4-(trans-4-n-pentylcyclohexyl)cyclohexylcarbonitrile (CCH5) in the isotropic and nematic phases: a computer simulation study. Liquid Crystals 12:1, pages 157-176.
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P.M. Rodger, A.J. Stone & D.J. Tildesley. (1992) Anisotropic Site-Site Potentials in Molecular Dynamics. Molecular Simulation 8:3-5, pages 145-164.
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MarkR. Wilson & MichaelP. Allen. (1991) Computer Simulations of Mesogenic Molecules Using Realistic Atom-Atom Potentials. Molecular Crystals and Liquid Crystals 198:1, pages 465-477.
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Articles from other publishers (8)

Kuei-Jen Lee, Ging-Ho Hsiue, Jung-Lung Wu & Yi-An Sha. (2007) Molecular structure of side-chain liquid crystalline polysiloxane in the smectic C phase from X-ray diffraction and molecular modeling. Polymer 48:17, pages 5161-5173.
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Durga Prasad Ojha & V.G.K.M. Pisipati. (2003) Molecular order of mesogenic compounds (CCHs) at phase transition temperature—A computational analysis. Journal of Molecular Liquids 106:1, pages 55-67.
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Frank M. Leslie. 1999. Physical Properties of Liquid Crystals. Physical Properties of Liquid Crystals 25 86 .
D. Demus, J. Goodby, G. W. Gray, H.‐W. Spiess & V. VillMark R. Wilson. 1998. Handbook of Liquid Crystals. Handbook of Liquid Crystals 72 86 .
D. Demus, J. Goodby, G. W. Gray, H.‐W. Spiess & V. VillMark R. Wilson. 1998. Handbook of Liquid Crystals Set. Handbook of Liquid Crystals Set 72 86 .
Soumya S. Patnaik, James A. Lupo & Ruth Pachter. (1998) Atomistic modelling of nematic liquid crystals: a study of structure-property relationships in steroidal mesogen based liquid crystals. Computational and Theoretical Polymer Science 8:1-2, pages 39-47.
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Shaw H Chen, Hongqin Shi, John C Mastrangelo & Jane J Ou. (1996) Thermotropic chiral nematic side-chain polymers and cyclic oligomers. Progress in Polymer Science 21:6, pages 1211-1233.
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L. M. Blinov & V. G. ChigrinovL. M. Blinov & V. G. Chigrinov. 1994. Electrooptic Effects in Liquid Crystal Materials. Electrooptic Effects in Liquid Crystal Materials 1 46 .

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