@article {2656,
	title = {Solute order parameters in liquid crystals from NMR spectra solved with evolutionary algorithms: Application of double Maier-Saupe Kobayashi-McMillan theory},
	journal = {Chemical Physics Letters},
	volume = {476},
	number = {1-3},
	year = {2009},
	note = {ISI Document Delivery No.: 463YQTimes Cited: 2Cited Reference Count: 25Weber, Adrian C. J. Yang, Xuan Dong, Ronald Y. Meerts, W. Leo Burnell, E. Elliott},
	month = {Jul},
	pages = {116-119},
	type = {Article},
	abstract = {We obtain dipolar couplings via a novel application of evolutionary algorithms solving for multiple spin-systems simultaneously and automatically from the NMR spectra of several solutes in several nematic and smectic liquid crystal solvents. The order parameters obtained from the dipolar couplings are used to test a novel Hamiltonian that includes two Maier-Saupe nematic terms plus Kobayashi-McMillan smectic A terms. It is shown that this Hamiltonian can rationalize the NMR experiments with physically reasonable smectic order parameters and Hamiltonian prefactors. (C) 2009 Elsevier B.V. All rights reserved.},
	keywords = {ELECTRON-DIFFRACTION, MOLECULAR-STRUCTURES, NEMATIC SOLVENTS, orientational order, PHASE, SHAPE},
	isbn = {0009-2614},
	url = {<Go to ISI>://000267470600025},
	author = {Weber, A. C. J. and Yang, X. and Dong, R. Y. and Meerts, W. L. and Burnell, E. E.}
}
@article {4677,
	title = {Intermolecular potentials in liquid crystals: Comparison between simulations and NMR experiments},
	journal = {International Journal of Modern Physics C},
	volume = {10},
	number = {2-3},
	year = {1999},
	note = {ISI Document Delivery No.: 222HPTimes Cited: 12Cited Reference Count: 21Meeting on Recent Developments in the Computer Simulations of Liquid CrystalsJUN 18, 1998ERICE, ITALY},
	month = {May},
	pages = {403-413},
	type = {Proceedings Paper},
	abstract = {The anisotropic intermolecular forces responsible for the orientational ordering in liquid crystals are probed by comparing Monte Carlo (MC) simulations with experimental nuclear magnetic resonance (NMR) results for solutes in nematic liquid crystals. In a special liquid crystal mixture where all long-range interactions are assumed to be minimized, the models for short-range interactions which best fit NMR experimental solute order parameters also best fit solute order parameters from MC simulations of hard ellipsoids. This is taken as an indication that in this special mixture the intermolecular potential is dominated by short-range forces. However, for liquid crystals where long-range interactions are important, simulations of hard ellipsoids with point quadrupoles cannot reproduce even the gross effects observed with experimental NMR data.},
	keywords = {anisotropic intermolecular force, ELECTRIC-DIPOLE INTERACTIONS, interaction, liquid crystal, MOLECULES, Monte Carlo, MONTE-CARLO SIMULATIONS, NEMATIC SOLVENTS, nuclear magnetic resonance experiment, ORDER, ORIENTATIONAL, quadrupole interaction, SHAPE, SHORT-RANGE, SIMULATION, SIZE, SOLUTES},
	isbn = {0129-1831},
	url = {<Go to ISI>://000081779000007},
	author = {Syvitski, R. T. and Polson, J. M. and Burnell, E. E.}
}
@article {4218,
	title = {Prediction from molecular shape of solute orientational order in liquid crystals},
	journal = {Chemical Reviews},
	volume = {98},
	number = {6},
	year = {1998},
	note = {ISI Document Delivery No.: 127TNTimes Cited: 82Cited Reference Count: 154},
	month = {Sep-Oct},
	pages = {2359-2387},
	type = {Review},
	keywords = {ATOM-ATOM POTENTIALS, COUPLINGS, ELECTRIC-FIELD GRADIENT, FLUIDS, HARD-PARTICLE, ISOMERIC STATE APPROXIMATION, MONTE-CARLO SIMULATIONS, MULTIPLE-QUANTUM H-1-NMR, NEMATIC SOLVENTS, NUCLEAR MAGNETIC-RESONANCE, PARTIALLY ORIENTED MOLECULES, SPIN DIPOLAR},
	isbn = {0009-2665},
	url = {<Go to ISI>://000076366800007},
	author = {Burnell, E. E. and de Lange, C. A.}
}
