@article {2615,
	title = {Orientational order of near D-3h solutes in nematic liquid crystals. II. Description via Gay-Berne model with embedded quadrupoles},
	journal = {Journal of Chemical Physics},
	volume = {130},
	number = {15},
	year = {2009},
	note = {ISI Document Delivery No.: 437KLTimes Cited: 3Cited Reference Count: 19Sokolovskii, R. O. Burnell, E. Elliott},
	month = {Apr},
	pages = {6},
	type = {Article},
	abstract = {We perform Monte Carlo simulations of a mixture of soft ellipsoids with embedded quadrupoles as a model of various chloro- and methyl-substituted benzenes dissolved in nematic liquid crystals. We find that oblate Gay-Berne ellipsoids with multiple embedded quadrupoles qualitatively reproduce the trend in the order parameter asymmetry experimentally observed in NMR spectra. The trend is opposite to what is expected on the basis of the interaction of the solute{\textquoteright}s quadrupole with the solvent{\textquoteright}s average electric field gradient "felt" by dissolved dihydrogen molecules. We identify the specific minimum of the solute-solvent interaction energy landscape that may produce the unexpected sign of the order parameter asymmetry that is seen in the experiment and the simulation.},
	keywords = {COMPOUNDS, deuterium, dissolving, ELECTRIC-DIPOLE INTERACTIONS, LIQUID MIXTURES, liquid theory, METHODS, Monte Carlo, MONTE-CARLO SIMULATIONS, nematic liquid crystals, nuclear magnetic resonance, ORGANIC, POTENTIALS, SHAPE, SOLVENTS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000265486300033},
	author = {Sokolovskii, R. O. and Burnell, E. E.}
}
@article {4141,
	title = {Dipole-induced ordering in nematic liquid crystals fact or fiction?},
	journal = {Chemical Physics Letters},
	volume = {281},
	number = {1-3},
	year = {1997},
	note = {ISI Document Delivery No.: YP239Times Cited: 18Cited Reference Count: 35},
	month = {Dec},
	pages = {199-206},
	type = {Article},
	abstract = {Similar size and shape molecules with different electric multipoles are used to investigate effects of dipole and quadrupole interactions on the average orientation of solutes in nematic liquid crystals. Permanent dipoles have a negligible influence on solute orientation. Order parameters predicted from strong, short-range repulsive forces coupled with interactions between the solute quadrupole and the average electric field gradient felt by the solute [EFG] are consistent with experimental values. Calculated [EFG]{\textquoteright}s are the same sign and similar magnitude to those determined previously from D-2 and HD. For the nematic mixture 55wt\% ZLI 1132 in EBBA, the contribution to solute ordering from long-range electrostatic interactions is negligible. (C) 1997 Elsevier Science B.V.},
	keywords = {deuterium, ELECTRIC-DIPOLE, MECHANISMS, MOLECULAR-HYDROGEN, NMR-SPECTRA, orientational order, POTENTIALS, QUADRUPOLE-MOMENTS, SOLUTES, SOLVENTS},
	isbn = {0009-2614},
	url = {<Go to ISI>://000071256600030},
	author = {Syvitski, R. T. and Burnell, E. E.}
}
