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Preface | |
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Symbols and fundamental constants | |
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What is spectroscopy? | |
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A semiclassical description of spectroscopy | |
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Damped harmonics | |
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Quantum oscillators | |
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The spectroscopic experiment | |
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Ensembles and coherence | |
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Types of spectroscopy | |
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Practical considerations in spectroscopy | |
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Acquiring a spectrum | |
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Resolution: the problem of line width | |
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Line shape | |
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Problems | |
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Elementary aspects of NMR: I. Introduction to spins, ensemble behavior and coupling | |
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Nuclear and electronic spin | |
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The quantum picture of nuclear spin | |
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The "spinning top" model of nuclear spin | |
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Spin-state populations in ensembles | |
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Nuclear shielding and chemical shift | |
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Scalar coupling | |
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Dipolar coupling | |
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Dynamics | |
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J-coupling time scale, decoupling experiments and exchange decoupling | |
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Interaction between nuclear spins and radio-frequency (RF) EMR: 1. RF decoupling | |
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Problems | |
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Elementary aspects of NMR: II. Fourier transform NMR | |
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Interaction between nuclear spins and RF: 2. A single spin in the rotating frame of reference | |
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Interaction between nuclear spins and RF: 3. An ensemble of spins in the rotating frame of reference | |
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Detection of an NMR signal | |
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Time-domain detection in the NMR experiment: the free induction decay and quadrature detection | |
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Digitization of the free induction decay | |
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Fourier transformation: time-domain FID to frequency-domain spectrum | |
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Discrete Fourier transformation | |
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Spectral phasing | |
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RF pulses and pulse phase | |
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Pulse power and off-resonance effects from RF pulses | |
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Phase cycling: improved quadrature detection using CYCLOPS | |
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Factors affecting spectral quality and appearance: shimming, window functions and apodization | |
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After the fact: window functions and zero filling | |
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Linear prediction | |
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Problems | |
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References | |
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Nuclear spin relaxation and the nuclear Overhauser effect | |
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Longitudinal (T[subscript 1]) relaxation and the sensitivity of the NMR experiment | |
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Transverse (T[subscript 2]) relaxation and the spin-echo experiment | |
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Chemical shift and J-coupling evolution during the spin echo | |
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Mechanisms of nuclear spin relaxation in liquids and the spectral density function | |
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Dipolar relaxation and the nuclear Overhauser effect | |
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NOE measurements, indirect NOEs and saturation transfer | |
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Heteronuclear NOE and the Solomon equation | |
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Other contributions to T[subscript 1] relaxation: chemical shift anisotropy, spin-rotation and paramagnetic effects | |
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Quadrupolar relaxation | |
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Selective and nonselective T[subscript 1] measurement and multi-exponential decay of coherence | |
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Problems | |
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References | |
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Classical and quantum descriptions of NMR experiments in liquids | |
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The classical approach: the Bloch equations of motion for macroscopic magnetization | |
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Classical description of a pulsed NMR experiment | |
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A quantum mechanical description of NMR of a single spin in an isotropic liquid | |
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A quantum mechanical description of NMR of coupled spins in an isotropic liquid | |
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The time-dependent nuclear spin Hamiltonian operator and solutions to the time-dependent Schrodinger equation | |
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Problems | |
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References | |
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Density operator and product operator descriptions of NMR experiments in liquids | |
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An ensemble of identical spins at equilibrium: an introduction to the density matrix formalism | |
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Expansion of the density matrix for an uncoupled spin in terms of Cartesian angular momentum operators | |
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Weakly coupled ensembles and the weak-coupling approximation | |
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Single-element operators for a two-spin system | |
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Interconversion between the single-element and the Cartesian operator bases | |
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Evolution of Cartesian operators under the influence of pulses, chemical shift and J-coupling | |
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Evolution of operators with weak J-coupling | |
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Analysis of a simple NMR spectrum using product operators | |
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Problems | |
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References | |
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Multidimensional NMR: homonuclear experiments and coherence selection | |
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A simple two-dimensional NMR experiment | |
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Coherence transfer in multidimensional NMR | |
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The COSY experiment | |
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Quadrature detection in multidimensional NMR | |
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Axial peaks | |
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Phase cycling and coherence order selection: the DQF-COSY experiment | |
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Other multiple-quantum filters in COSY | |
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Multiple-quantum spectroscopy | |
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Effect of [pi] pulses on coherence | |
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Pulsed-field gradients for coherence selection | |
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The gradient COSY experiment | |
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"Zero-quantum filtered COSY": NOESY and incoherent transfer | |
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Rotating frame NOEs: CAMELSPIN and ROESY | |
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Spin-locking experiments for coherence transfer: TOCSY and composite pulse decoupling | |
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Problems | |
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References | |
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Heteronuclear correlations in NMR | |
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Heteronuclear polarization transfer and the INEPT experiment | |
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Refocused INEPT | |
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Two-dimensional polarization transfer: HETCOR | |
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Sensitive nucleus (inverse) detection of an insensitive nucleus: the double INEPT or HSQC experiment | |
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Multiple-quantum approaches to heteronuclear correlation: DEPT and HMQC | |
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Gradient coherence selection in heteronuclear correlation NMR | |
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Phase-sensitive gradient coherence selection experiments for heteronuclear correlations | |
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Sensitivity enhancement in gradient coherence selection experiments | |
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Problems | |
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References | |
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Building blocks for multidimensional NMR and special considerations for biological applications of NMR | |
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Polarization transfer | |
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Solvent suppression | |
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Frequency-labeling periods and constant time NMR experiments | |
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Shaped and selective pulses | |
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Composite pulse decoupling and spin-locking | |
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Dealing with very large biomolecules in solution: deuteration and direct [superscript 13]C detection | |
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Interference patterns in heteronuclear relaxation: TROSY | |
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Problems | |
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References | |
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NMR under anisotropic conditions: NMR in the solid state and ordered fluids | |
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Anisotropy in NMR: chemical shielding and dipolar coupling | |
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Resolving the solid-state NMR spectrum: magic angle spinning (MAS) and high-power [superscript 1]H decoupling | |
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Cross-polarization for signal enhancement of dilute spins and spin-spin correlations | |
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Selective reintroduction of dipolar couplings between dilute spins: rotational resonance, RFDR, and REDOR | |
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Heteronuclear two-dimensional techniques in solid-state NMR | |
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Solid-state NMR using oriented samples: PISEMA | |
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Bringing a little order to solution NMR: residual dipolar couplings and CSA in ordered fluids | |
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Analysis of residual dipolar couplings | |
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Problems | |
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References | |
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Relaxation revisited: dynamic processes and paramagnetism | |
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Time scales of molecular motion, dynamic processes and relaxation | |
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The spectral density revisited | |
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Experimental measurement of heteronuclear relaxation parameters in proteins | |
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Model-free analysis of spin relaxation | |
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Chemical exchange and motion on slow and intermediate time scales (10-[superscript 6] s-10-[superscript 1] s) | |
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Measurement of R[subscript ex] | |
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Quadrupolar relaxation | |
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Hyperfine interactions and paramagnetic shifts of nuclear spins | |
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Paramagnetic relaxation of nuclear spins | |
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Relaxation and the density matrix | |
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Problems | |
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References | |
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Diffusion, imaging, and flow | |
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Magnetic field inhomogeneity, T[subscript 2]([subscript macro]) and diffusion measurement by NMR | |
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Basic imaging concepts: phase and frequency encoding of position in a macroscopic sample | |
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Spatially selective pulses | |
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Spatial equivalents of NMR parameters | |
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Basic two-dimensional imaging sequences | |
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k-Space | |
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Contrast and contrast agents, relaxation, and flow | |
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Rapid-scan MRI: echo-planar imaging and one-shot methods | |
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Problems | |
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References | |
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Time-dependent perturbations | |
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The time-dependent Schrodinger equation and superposition states | |
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Hilbert space, eigenvectors, and superposition of states | |
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Perturbation theory: time-dependent perturbations of the Hamiltonian | |
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Semiclassical interactions between EMR and quantum oscillators using perturbation theory | |
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Density matrix formalism and the relaxation supermatrix | |
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A density matrix description of the [superscript 1]H, [superscript 15]N HMQC experiment | |
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RF pulses | |
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Time evolution of the density matrix with chemical shift and coupling | |
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Semiclassical relaxation theory and the Redfield relaxation matrix | |
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Index | |