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Contributing Authors | |
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Preface | |
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Introduction | |
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Basics | |
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Basics of NMR of molecules in uniaxial anisotropic environments | |
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Introduction | |
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General Hamiltonian in uniaxial anisotropic liquids | |
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The high-field approximation | |
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Transformation to molecule-fixed axes | |
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Orientation parameters | |
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Molecular symmetry | |
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Simple examples of NMR spectra of orientationally ordered molecules | |
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Orientational order induced by anisotropic solvents | |
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Orientational order induced by strong electric fields | |
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Orientational order induced by strong magnetic fields | |
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Internal motion | |
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Summary | |
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Density matrix methods in NMR | |
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Introduction | |
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Brief introduction to the density matrix | |
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Pulsed NMR | |
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Summary | |
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Coherent averaging and correlation of anisotropic spin interactions in oriented molecules | |
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Introduction | |
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Spatial reorientation techniques | |
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Two-dimensional dynamic director correlations | |
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Spin manipulation based techniques | |
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Multidimensional techniques | |
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Conclusions | |
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Multiple Quantum NMR Spectroscopy in Orientationally Ordered Fluids | |
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NMR in orientationally ordered fluids | |
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Spectral simplification by MQNMR | |
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Excitation and detection of multiple quantum coherence | |
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Selective deuteration for spectral simplification | |
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Spectral analysis and simulation | |
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Structural studies using MQNMR | |
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Structual studies by [superscript 1]H MQNMR | |
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Heteronuclear MQNMR | |
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Other applications of MQNMR in liquid crystalline solvents | |
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Spectral Analysis of Orientationally Ordered Molecules | |
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Introduction | |
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Tools of the trade | |
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Some examples of putting it together | |
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Summary | |
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NMR of solute atoms and molecules | |
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NMR of Noble Gases Dissolved in Liquid Crystals | |
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Introduction | |
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NMR properties of noble gases | |
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Chemical shift | |
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Quadrupole coupling | |
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Relaxation | |
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[superscript 129]Xe self-diffusion | |
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Conclusions | |
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NMR of partially ordered solutes with emphasis on structure determination | |
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Introduction | |
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Basic principles | |
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Spectral analysis | |
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Scope and limitations | |
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Practical considerations for deriving precise molecular structural information | |
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Aids for spectral analysis | |
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Emerging developments and possible future directions | |
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Conclusions | |
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Observation and interpretation of residual dipolar couplings in biomolecules | |
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Introduction | |
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Theory | |
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Measurement of residual dipolar couplings | |
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Interpretation and applications of dipolar couplings and CSA in structural biology | |
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Summary | |
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The search for high-resolution NMR methods for membrane peptide structure | |
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Introduction: NMR of orientationally ordered systems | |
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Theoretical background | |
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Separated local field spectroscopy | |
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High-resolution [superscript 1]H MAS NMR of small membrane proteins | |
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Conclusions | |
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Theory, models, and simulations | |
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Solutes as probes of simplified models of orientational order | |
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Introduction | |
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Obtaining a self-consistent set of solute orientational order parameters | |
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Factors affecting solute orientational order | |
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Orientational order of solutes in "magic mixtures" | |
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Comparison of experimental and calculated orientational order in "pure" liquid crystals and "magic mixtures" | |
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Conclusions | |
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Molecular Models of Orientational Order | |
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Phenomenological models for short-range interactions | |
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Modeling electrostatic interactions | |
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Density functional theory | |
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Conclusion | |
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Polarization induced by a charge distribution in a dielectric | |
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Molecular theory of orientational order | |
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Introduction | |
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Order parameters, molecular structure and interactions | |
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Approximation schemes for the potential of mean torque | |
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Molecular models | |
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Summary | |
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Very Flexible Solutes: Alkyl Chains and Derivatives | |
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Introduction | |
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Chronology of NMR studies of flexible solutes | |
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Models of flexible molecules | |
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Conclusions | |
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NMR Studies of Solutes in Liquid Crystals: Small Flexible Molecules | |
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Introduction | |
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Theoretical background | |
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The conformational problem | |
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Selected examples | |
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Conclusions | |
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Simulations of Orientational Order of Solutes in Liquid Crystals | |
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Introduction | |
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Orientational distribution functions and mean-field potentials | |
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Conformational behaviour of flexible solutes | |
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Electrostatic interactions | |
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Conclusions | |
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Dynamic aspects and relaxation | |
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Spin relaxation in orientationally ordered molecules | |
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Introduction | |
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Average Hamiltonian | |
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Spin relaxation theory | |
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Motional models | |
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Applications of spin relaxation | |
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Low-frequency NMR relaxometry of spatially constrained liquid crystals | |
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Introduction | |
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Field-cycling relaxometry | |
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Low-field proton relaxometry of confined liquid crystals | |
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The dipolar-correlation effect | |
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Deuteron NMR relaxometry of confined liquid crystals | |
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NMR on macroscopically oriented lyotropic systems | |
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Introduction | |
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Orientation dependent NMR interactions | |
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Lipid translational diffusion | |
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Preparation of macroscopically oriented lamellar systems | |
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Examples | |
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Dynamic NMR in liquid crystals and liquid crystalline solutions | |
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Introduction | |
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Dynamic proton NMR of solutes in nematic solvents | |
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Dynamic deuterium NMR spectra | |
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Dynamic carbon-13 MAS NMR | |
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Concluding remarks | |