@article {doi:10.1002/cmr.a.21415,
	title = {Evolutionary algorithms and nuclear magnetic resonance of oriented molecules},
	journal = {Concepts in Magnetic Resonance Part A},
	volume = {45A},
	number = {6},
	year = {2016},
	pages = {e21415},
	abstract = {Abstract In this article, we discuss the progress achieved with the use of evolutionary algorithms for the analysis of 1H Nuclear Magnetic Resonance spectra of solutes in orientationally ordered liquids. With these tools the analysis of extremely complex spectra that were hitherto impossible to solve has now become eminently feasible. We discuss applications to 2 molecules of special interest: (a) hexamethylbenzene, which is a text book example of steric hindrance between adjacent rotating methyl groups; and (b) cyclohexane which is the standard example of interconversion between various molecular conformations. New interesting physics is obtained in both cases.},
	keywords = {cyclohexane, evolutionary algorithms, hexamethyl benzene, liquid crystal, orientational order},
	doi = {10.1002/cmr.a.21415},
	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/cmr.a.21415},
	author = {Burnell, E. Elliott and de Lange, Cornelis A. and Dong, Ronald Y. and Meerts, W. Leo and Weber, Adrian C. J.}
}
@inbook {doi:10.1002/9780470034590.emrstm1477,
	title = {Molecular Hydrogens Dissolved in Liquid Crystals},
	booktitle = {eMagRes},
	year = {2016},
	pages = {901-912},
	publisher = {American Cancer Society},
	organization = {American Cancer Society},
	abstract = {Abstract The NMR spectra of molecular hydrogen isotopologs dissolved and orientationally ordered in nematic liquid-crystal solvents provide a wealth of information. Because they are quantum rotors, the various isotopologs H 2 , D 2 , T 2 , HD, HT, and DT have different order parameters, with larger internuclear distance having smaller order parameter. The signs and magnitudes of the order parameters are liquid-crystal dependent, this being a direct result of the dominant anisotropic intermolecular interaction being that between the solute quadrupole moment and the mean liquid-crystal electric-field gradient (EFG) felt by the solute. Thus, the mixing of different liquid crystals can produce a solvent where molecular hydrogen feels a zero EFG, called a magic mixture. The remaining, dominant anisotropic interaction (for solutes larger than hydrogen) in these magic mixtures involves short-range anisotropic forces that depend on solute size and shape. Studies involving the very symmetrical methane H, D, and T isotopologs point out the important effect on dipolar couplings of molecular vibrations and interactions between molecular vibration and reorientation, effects which make it impossible to utilize fully the high accuracy with which dipolar couplings in general can be measured.},
	keywords = {ANISOTROPIC, electric field gradient, HYDROGEN, liquid crystal, METHANE, NMR, order parameter, ordered liquids, ORIENTATION, VIBRATIONS},
	isbn = {9780470034590},
	doi = {10.1002/9780470034590.emrstm1477},
	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/9780470034590.emrstm1477},
	author = {Burnell, E. Elliott and de Lange, Cornelis A.}
}
@article {1068,
	title = {NMR as a tool in the investigation of fundamental problems in ordered liquids},
	journal = {Solid State Nuclear Magnetic Resonance},
	volume = {28},
	number = {2-4},
	year = {2005},
	note = {ISI Document Delivery No.: 998NHTimes Cited: 9Cited Reference Count: 49},
	month = {Sep},
	pages = {73-90},
	type = {Article},
	abstract = {An overview is presented of modern NMR techniques and a variety of experimental and theoretical tools employed in the study of solutes dissolved in liquid crystals. The NMR techniques involve multiple quantum and spectral subtraction methods, In addition, various experimental and theoretical tools are discussed, including: the theoretical background of observed order parameters; the use of,magic mixtures{\textquoteright} to separate orientational contributions; the reorientation-vibration interaction; the use of model calculations based on size and shape of the various solutes; and the use of computer simulations. Applications to the benchmark probe molecules hydrogen, methane, ethane, and butane and their isotopomers are treated. (c) 2005 Elsevier Inc. All rights reserved.},
	keywords = {ANISOTROPIC LIQUIDS, butane, ethane, H-2 NMR, HYDROGEN, INTERNAL-ROTATION, liquid crystal, METHANE, MOLECULES, MOLEKULAR-STATISTISCHE THEORIE, MULTIPLE-QUANTUM NMR, NEMATISCHEN KRISTALLINFLUSSIGEN PHASE, NMR, NUCLEAR-MAGNETIC-RESONANCE, order parameter, orientational order, PROTON DIPOLAR COUPLINGS, SMALL CHAIN},
	isbn = {0926-2040},
	url = {<Go to ISI>://000234325100003},
	author = {Burnell, E. E. and de Lange, C. A.}
}
@article {514,
	title = {Simultaneous selective detection of multiple quantum spectra},
	journal = {Journal of Magnetic Resonance},
	volume = {155},
	number = {2},
	year = {2002},
	note = {ISI Document Delivery No.: 560GETimes Cited: 8Cited Reference Count: 11},
	month = {Apr},
	pages = {251-256},
	type = {Article},
	abstract = {A three-dimensional multiple-quantum NMR experiment that produces individual spectra of all quantum orders is described. The separation of different quantum orders is accomplished via Fourier transformation with respect to the phase of the first two pulses of a generic three-pulse multiple-quantum sequence. This dramatically reduces the time required to obtain several selectively detected spectra and enhances the sensitivity and digital resolution from that obtained using the original two-dimensional technique. The experiment is demonstrated on the protons of para-chlorotoluene dissolved in the nematic liquid crystal Merck ZLI-1132. (C) 2002 Elsevier Science (USA).},
	keywords = {liquid crystal, LIQUID-CRYSTAL SOLVENTS, MQNMR, multiple, nematic, NMR, orientational order, quantum coherence, SPECTROSCOPY},
	isbn = {1090-7807},
	url = {<Go to ISI>://000176073700006},
	author = {Syvitski, R. T. and Burlinson, N. and Burnell, E. E. and Jeener, J.}
}
@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.}
}
