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Liquid Crystals Volume 22, 1997 - Issue 4
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Original Articles

Conformational energy landscapes of liquid crystal molecules

S. J. CLARK
,
C. J. ADAM
,
D. J. CLEAVER
&
J. CRAIN
Pages 477-482 | Received 01 Sep 2001, Published online: 06 Aug 2010

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Łukasz Szczuciński, Roman Dąbrowski, Stanisław Urban, Katarzyna Garbat, Marek Filipowicz, Jerzy Dziaduszek & Michał Czerwiński. (2015) Synthesis, mesogenic and dielectric properties of fluorosubstituted isothiocyanatoterphenyls. Liquid Crystals 42:12, pages 1706-1729.
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Patricia R. Richardson, Simon P. Bates, Jason Crain & Anita C. Jones. (2000) Structure and properties of isolated liquid crystal molecules: jet spectroscopy and ab initio calculations of 4-cyanobiphenyl. Liquid Crystals 27:6, pages 845-850.
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D. DEMUS & T. INUKAI. (1999) Calculation of molecular, dielectric and optical properties of 4'-n-pentyl-4-cyano-biphenyl (5CB). Liquid Crystals 26:9, pages 1257-1266.
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C.J. ADAM, A. FERRARINI, M.R. WILSON, G.J. ACKLAND & J. CRAIN. (1999) A first principles and mean field investigation of the conformational properties of 5CB. Molecular Physics 97:4, pages 541-550.
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C. J. ADAM S. J. CLARK M. R. WILSON G. J. ACKLAND J. CRAIN. (1998) Transferability of first principles derived torsional potentials for mesogenic molecules and fragments. Molecular Physics 93:6, pages 947-954.
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Articles from other publishers (14)

Anant Kumar. (2018) Effect of fluorine substitution on the core geometry and refractive indices in biphenyl-cyclohexane liquid crystals: A DFT study. Journal of Molecular Liquids 271, pages 907-913.
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Muhammad Arslan Shehzad, Junsu Lee, Sang Hoon Park, Imtisal Akhtar, Muhammad Farooq Khan, Sajjad Hussain, Jonghwa Eom, Jongwan Jung, Gunn Kim, Chanyong Hwang & Yongho Seo. (2018) Dynamics of liquid crystal on hexagonal lattice. 2D Materials 5:4, pages 045021.
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T. R. Prosochkina, R. G. Shestakova, E. A. Kantor & K. G. Kichatov. (2011) Computational simulation of the molecular ordering of 3,6-bis(4-butylphenyl)[1,2,4,5]tetrazine at the phase transition temperatures. Russian Journal of General Chemistry 81:11, pages 2362-2368.
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Antonella Cimoli, Giacomo Prampolini & Alessandro Tani. (2009) Solvent-Induced Stereochemical Behavior of a Bile Acid-Based Biphenyl Phosphite: A Computational Study. The Journal of Physical Chemistry A 113:52, pages 14930-14935.
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Ivo Cacelli, Carlo Federico Lami & Giacomo Prampolini. (2009) Force-field modeling through quantum mechanical calculations: Molecular dynamics simulations of a nematogenic molecule in its condensed phases. Journal of Computational Chemistry 30:3, pages 366-378.
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Claudio Amovilli, Ivo Cacelli, Giorgio Cinacchi, Luca De Gaetani, Giacomo Prampolini & Alessandro Tani. (2006) Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations. Theoretical Chemistry Accounts 117:5-6, pages 885-901.
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G. Zheng, S. J. Clark, S. Brand & R. A. Abram. (2006) Lattice dynamics of polyaniline and poly( -pyridyl vinyline): First-principles determination . Physical Review B 74:16.
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C M Care & D J Cleaver. (2005) Computer simulation of liquid crystals. Reports on Progress in Physics 68:11, pages 2665-2700.
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Guang Zheng, S. J. Clark, P. R. Tulip, S. Brand & R. A. Abram. (2005) Ab initio dynamics study of poly- para -phenylene vinylene . The Journal of Chemical Physics 123:2.
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Claudio Amovilli, Ivo Cacelli, Silvio Campanile & Giacomo Prampolini. (2002) Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4- n -pentyl-4′- cyanobiphenyl (5CB) dimer . The Journal of Chemical Physics 117:7, pages 3003-3012.
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V. Milman, B. Winkler, J. A. White, C. J. Pickard, M. C. Payne, E. V. Akhmatskaya & R. H. Nobes. (2000) Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study. International Journal of Quantum Chemistry 77:5, pages 895-910.
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Jason Crain & S. J. Clark. 1999. Liquid Crystals I. Liquid Crystals I 1 40 .
S. J Clark, G. J Ackland & J Crain. (1998) Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB . Europhysics Letters (EPL) 44:5, pages 578-584.
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Julian T. Brown, Michael P. Allen, Elvira Martín del Río & Enrique de Miguel. (1998) Effects of elongation on the phase behavior of the Gay-Berne fluid. Physical Review E 57:6, pages 6685-6699.
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