Note: Nuclear Magnetic Resonance -- Contents -- CHAPTER 1 NMR Books and Reviews -- CHAPTER 2 Theoretical and Physical Aspects of Nuclear Shielding -- 1 Theoretical Aspects of Nuclear Shielding -- 1.1 General Theory -- 1.2 Ab Initio Calculations -- 1.3 Semiempirical Calculations -- 2 Physical Aspects of Nuclear Shielding -- 2.1 Anisotropy of the Shielding Tensor -- 2.2 Rovibrational Averaging and Shielding Surfaces -- 2.3 Isotope Shifts -- 2.4 Intermolecular Effects on Nuclear Shielding -- References -- CHAPTER 3 Applications of Nuclear Shielding -- Introduction -- 1 Various Chemical and Physical Influences on Nuclear Shieldings -- 1.1 Computer Assisted Structural Assignment -- 1.1.1 Spectrum simulation and computer assisted assignments -- 1.1.2 Nuclear shielding calculations -- 1.2 Stereochemical Nuclear Shielding Non-equivalence -- 1.2.1 Asymmetric determination -- 1.2.2 Other stereochemistry determination -- 1.3 Isotope Effects -- 1.4 Substituent Effects -- 1.4.1 Proton substituent effects -- 1.4.2 Carbon substituent effects -- 1.4.3 Heteroatom substituent effects -- 1.5 Intramolecular Hydrogen Bonding Effects and Related Effects -- 1.5.1 Proton shifts -- 1.5.2 Heteronuclear shifts -- 1.6 Bond Anisotropy, Ring Current Effects and Aromaticity -- 1.7 Inclusion Phenomena and Related Effects -- 1.7.1 Cyclodextrins -- 1.7.2 Miscellaneous hosts -- 1.8 Intermolecular Hydrogen Bonding Effects and Related Effects -- 1.9 Other Miscellaneous Topics -- 2 Shieldings of Particular Nuclear Species -- 2.1 Group 1 -- 2.1.1 Hydrogen (1H) -- 2.1.2 Deuterium (2H) -- 2.1.3 Tritium (3H) -- 2.1.4 Lithium (6,7Li) -- 2.1.5 Sodium (23Na) -- 2.1.6 Rubidium (85,87Rb) -- 2.1.7 Caesium (133Cs) -- 2.2 Group 2 -- 2.2.1 Beryllium (9Be) -- 2.2.2 Magnesium (25Mg) -- 2.2.3 Calcium (43Ca) -- 2.3 Group 3 and Lanthanides -- 2.3.1 Scandium (45Sc) -- 2.3.2 Yttrium (89Y). , 2.3.3 Lanthanum (139La) -- 2.3.4 Terbium and Erbium (159Tb and 167Er) -- 2.3.5 Ytterbium (171Yb) -- 2.4 Group 4 -- 2.4.1 Zirconium (91Zr) -- 2.5 Group 5 -- 2.5.1 Vanadium (51V) -- 2.5.2 Niobium 93Nb) -- 2.6 Group 6 -- 2.6.1 Molybdenum (95Mo) -- 2.6.2 Tungsten (183W) -- 2.7 Group 7 95 -- 2.7.1 Manganese (55Mn) -- 2.8 Group 8 -- 2.8.1 Iron (57Fe) -- 2.8.2 Ruthenium (99Ru) -- 2.8.3 Osmium (1870s) -- 2.9 Group 9 -- 2.9.1 Cobalt (59Co) -- 2.9.2 Rhodium (103Rh) -- 2.10 Group 10 -- 2.10.1 Platinum (195Pt) -- 2.11 Group 11 -- 2.11.1 Copper (63Cu) -- 2.11.2 Silver (109Ag) -- 2.12 Group 12 -- 2.12.1 Cadmium (11,113Cd) -- 2.12.2 Mercury (199,201Hg) -- 2.13 Group 13 -- 2.13.1 Boron (11B) -- 2.13.2 Aluminium (27Al) -- 2.13.3 Gallium (69,7IGa) -- 2.13.4 Indium (115In) -- 2.13.5 Thallium (205Tl) -- 2.14 Group 14 -- 2.14.1 Carbon (13C) -- 2.14.2 Silicon (29Si) -- 2.14.3 Germanium (73Ge) -- 2.14.4 Tin(119Sn) -- 2.14.5 Lead(207Pb) -- 2.15 Group 15 -- 2.15.1 Nitrogen (14,15N) -- 2.15.2 Phosphorus (13P) -- 2.15.3 Arsenic (75As) -- 2.15.4 Antimony (121,123sb) and Bismuth (209Bi) -- 2.16 Group 16 -- 2.16.1 Oxygen (17O) -- 2.16.2 Sulphur (33S) -- 2.16.3 Selenium (77Se) -- 2.16.4 Tellurium (123,125Te) -- 2.17 Group 17 -- 2.17.1 Fluorine (19F) -- 2.17.2 Chlorine (35Cl) -- 2.17.3 Bromine (81Br) -- 2.18 Group 18 -- 2.18.1 Helium (3He), Neon (21Ne), Krypton (83Kr), and Xenon (131Xe) -- 2.18.2 Xenon (129Xe) -- References -- CHAPTER 4 Theoretical Aspects of Spin-Spin Couplings -- 1 Introduction -- 2 Ab Initio Calculations -- 2.1 Relativistic Theory for Spin-Spin Couplings -- 2.1.1 The Definition of Polarization Propagators -- 2.1.2 The Relativistic Hamiltonian -- 2.1.3 The Relativistic Tensor ĴNN' -- 2.1.4 Relativistic RPA Approximation -- 2.2 Density Functional Theory for Spin-Spin Couplings -- 2.2.1 Method -- 2.2.2 Results -- 2.3 Vicinal Proton-Proton Coupling Constraints 143. , 2.3.1 Methods and Results -- 2.4 One-Bond 13C-13C Couplings -- 2.4.1 Theoretical Study of the 1JCC in Bitetrahedrane -- 2.4.2 The 1Jcc in Ethylene Glycol -- 2.5 The 1JHD in Molecular Hydrogen Complexes -- 2.6 1JCH and 2JHH Surfaces for CH4 -- 2.7 Ab Initio Calculation by Pople Santry Expression -- 3 Semiempirical Calculations -- 4 Conformational Analysis -- References -- CHAPTER 5 Applications of Spin-Spin Coupling Constants -- 1 Introduction -- 2 Application of New Methods -- 3 One-Bond Couplings to Hydrogen -- 4 One-Bond Couplings not Involving Hydrogen -- 5 Two-Bond Couplings Involving Hydrogen -- 6 Two-Bond Couplings not Involving Hydrogen -- 7 Three-Bond Couplings between Hydrogens -- 8 Three-Bond Couplings between Hydrogen and Heteronuclei -- 9 Three-Bond Couplings not Involving Hydrogen -- 10 Couplings Over More than Three Bonds and Through Space 193 -- References -- CHAPTER 6 Nuclear Spin Relaxation in Liquids and Gases -- 1 Introduction -- 2 General, Physical and Experimental Aspects of Nuclear Spin Relaxation -- 2.1 General Aspects -- 2.2 Experimental Aspects -- 2.3 Relaxation in Coupled Spin Systems -- 2.4 Dipolar Couplings and Distance Information -- 2.5 Exchange Spectroscopy -- 2.6 Quadrupolar Interactions -- 2.7 Intermolecular Dipolar Interactions in Diamagnetic and Paramagnetic Solutions -- 2.8 Slow Motions in Glasses -- 3 Selected Applications of Nuclear Spin Relaxation -- 3.1 Pure Liquids and Non-Electrolyte Solutions -- 3.2 Electrolyte Solutions -- 3.3 Low-Temperature Molten Salts -- 3.4 Transition Metal Complexes -- 4 Nuclear Spin Relaxation in Gases -- 5 Self-Diffusion in Liquids -- 5.1 Experimental Aspects -- 5.2 Selected Examples -- 6 Direct Current and Electrophoretic NMR -- References -- CHAPTER 7 Solid State NMR -- 1 Introduction -- 2 Reviews -- 3 Fundamental Aspects: Theoretical and Experimental -- 3.1 Theory. , 3.1.1 Sidebands -- 3.1.2 Hamiltonian theory -- 3.1.3 Floquet theory -- 3.1.4 Quadrupolar effects on spin 1/2 nuclei -- 3.1.5 Cross-polarization -- 3.1.6 Ab initio calculations -- 3.1.7 Other systems -- 3.2 New Pulse Sequences, Development of Old Pulse Sequences and New Methodology -- 3.2.1 Cross-polarization -- 3.2.2 Multi-dimensional experiments -- 3.2.3 Quadrupolar nuclei -- 3.2.4 Sideband suppression -- 3.2.5 Dipolar recoupling -- 3.2.6 Imaging -- 3.2.7 Methodology -- 3.2.8 Miscellaneous -- 3.3 Determination of NMR Parameters and Other Fundamental Information -- 3.4 Other Experimental Aspects -- 3.4.1 Cross-polarization -- 3.4.2 Quadrupolar interactions -- 3.4.3 Two-dimensional experiments -- 3.4.4 Deuterium NMR -- 3.4.5 Miscellaneous -- 4 Chemical Applications -- 4.1 13CNMR -- 4.1.1 General organic solids -- 4.1.2 Fullerenes -- 4.1.3 Polymers -- 4.1.4 Coals -- 4.1.5 Biological materials -- 4.1.6 Zeolites and zeotypes -- 4.1.7 Layered and porous material -- 4.1.8 Organometallics -- 4.1.9 Inorganic materials -- 4.1.10 Inclusion compounds -- 4.1.11 Amorphous materials -- 4.1.12 Catalysis -- 4.2 27A1 and 29Si NMR -- 4.2.1 Zeolites and zeotypes -- 4.2.2 Layered and porous material -- 4.2.3 Organometallics -- 4.2.4 Inorganic materials -- 4.2.5 Semiconductors -- 4.2.6 Minerals -- 4.2.7 Amorphous materials -- 4.2.8 Catalysis -- 4.3 1H and 2H NMR -- 4.3.1 General organic solids -- 4.3.2 Polymers -- 4.3.3 Biological Materials -- 4.3.4 Zeolites and zeotypes -- 4.3.5 Organometallics -- 4.3.6 Inorganic Materials -- 4.3.7 Inclusion Compounds -- 4.3.8 Catalysis -- 4.4 Multinuclear NMR -- 4.4.1 General organic solids -- 4.4.2 Fullerenes -- 4.4.3 Polymers -- 4.4.4 Zeolites and zeotypes -- 4.4.5 Layered and porous material -- 4.4.6 Organometallics -- 4.4.7 Inorganic materials -- 4.4.8 Semiconductors -- 4.4.9 Inclusion compounds -- 4.4.10 Catalysis. , 4.5 Other Nuclei -- 4.5.1 General organic solids -- 4.5.2 Biological materials -- 4.5.3 Zeolites and zeotypes and layered materials -- 4.5.4 Organometallics -- 4.5.5 Inorganic materials -- 4.5.6 Semiconductors -- 4.5.7 Inclusion compounds -- 4.5.8 Glasses -- 4.5.9 Catalysis -- References -- CHAPTER 8 Multiple Pulse NMR -- 1 Introduction -- 2 Variation of the Radiofrequency Pulse -- 2.1 Composite and Decoupling Pulses -- 2.2 Selective Excitation Pulses -- 2.3 Gradient Enhanced Spectroscopy -- 2.4 Other Variations of RF Pulses -- 2.5 Solvent Suppression -- 3 Homonuclear Correlation Spectroscopy -- 3.1 Determination of Scalar Coupling Constants -- 3.2 Zero and Multiple Quantum Experiments -- 3.3 Variations of Correlation Spectroscopy -- 3.4 TOCSY-type Experiments -- 4 Dipolar Coupling, Chemical Exchange and Relaxation Time Experiments -- 4.1 Dipolar Coupling and Chemical Exchange -- 4.2 Relaxation Time Measurements -- 5 Heteronuclear Experiments -- 5.1 Direct Detection Correlation Spectroscopy -- 5.2 Inverse Proton-Detected Correlation Spectroscopy -- 5.3 Scalar Coupling Constants Using Heteronuclear Proton-Detection Experiments -- 5.3.1 Coupling Constant from Resolved Peak Multiplet -- 5.3.2 Coupling Constants from Peak Intensities -- 5.4 Gradient Enhanced Inverse Detection Heteronuclear Experiments -- 5.4.1 B0 Gradients -- 5.4.2 B1 Gradients -- 6 Methods for the Improvement of Data Quality -- 7 Triple Resonance NMR -- 7.1 Heteronuclear Triple Resonance Three-Dimensional Experiments -- 7.2 Triple Resonance Two-Dimensional Experiments -- 7.3 Gradient Enhanced 3D and 4D Heteronuclear Experiments -- 7.4 Selective 3D Experiments -- 8 Computation -- 8.1 Data Processing -- 8.2 Computer-Aided Assignments and Procedures -- 8.3 Computer Simulations -- References -- CHAPTER 9 Natural Macromolecules -- 1 Introduction -- 2 Peptides -- 3 Proteins. , 3.1 NMR Parameters and Protein Structure.

Note: Nuclear Magnetic Resonance -- Contents -- CHAPTER 1 NMR Books and Reviews -- 1 Books -- 2 Regular Review Series -- 3 Edited Books and Symposia -- 4 Reviews in Periodicals -- 5 Reviews and Books in Foreign Languages -- CHAPTER 2 Theoretical and Physical Aspects of Nuclear Shielding -- 1 Theoretical Aspects of Nuclear Shielding -- 1.1 General Theory -- 1.2 Ab Initio Calculations -- 1.3 Semiempirical Calculations -- 2 Physical Aspects of Nuclear Shielding -- 2.1 Anisotropy of the Shielding Tensor -- 2.2 Shielding Surfaces and Rovibrational Averaging -- 2.3 Isotope Shifts -- 2.4 Intermolecular Effects on Nuclear Shielding -- 3 References -- CHAPTER 3 Applications of Nuclear Shielding -- 1 Introduction -- 2 Various Chemical and Physical Influences on Nuclear Shieldings -- 2.1 Computer Assisted Structural Assignment -- 2.1.1 Spectrum Simulation, Computer Assisted Assignments, and Related Techniques -- 2.1.2 Nuclear Shielding Calculations -- 2.2 Stereochemical Nuclear Shielding Non-Equivalence -- 2.2.1 Chirality Determination by Mosher's and Related Methods -- 2.2.2 Other Stereochemistry Determination -- 2.3 Isotope Effects -- 2.4 Substituent Effects -- 2.4.1 Proton Substituent Effects -- 2.4.2 Carbon and Heteroatom Substituent Effects -- 2.5 Intramolecular Hydrogen Bonding Effects and Related Effects -- 2.5.1 Proton Shifts -- 2.5.2 Heteronuclear Shifts -- 2.6 Bond Anisotrophy, Ring Current Effects and Aromaticity -- 2.7 Intermolecular Hydrogen Bonding Effects, Inclusion Phenomena and Related Effects -- 2.7.1 Proton and Heteronuclear Shifts -- 2.7.2 Cyclodextrins -- 2.7.3 Calixarenes -- 2.7.4 Ureas -- 2.7.5 Other Molecular Recognition -- 2.8 Shift Reagents -- 2.9 Miscellaneous Topics -- 3 Shielding of Particular Nuclear Species -- 3.1 Group 1 (1H, 2H, 3H, 6,7Li, 23Na, 39K, 87RB, 137Cs) -- 3.1.1 Hydrogen (1H) -- 3.1.2 Deuterium (2H) -- 3.1.3 Tritium (3H). , 3.1.4 Lithium (6,7Li) -- 3.1.5 Sodium (23Na) -- 3.1.6 Potassium (39K) -- 3.1.7 Rubidium (85'87Rb) -- 3.1.8 Cesium (,33Cs) -- 3.2 Group 2 (9Be, 25Mg) -- 3.2.1 Beryllium (9Be) -- 3.2.2 Magnesium (25Mg) -- 3.3 Group 3 and Lanthanoids (89Y, 139La, 171 Yb) -- 3.3.1 Yttrium (89Y) -- 3.3.2 Lanthanum (139La) -- 3.3.3 Lanthanides (171Yb) -- 3.4 Group 4 (47,49Ti, 91Zr) -- 3.4.1 Titanium (47,49Ti) -- 3.4.2 Zirconium (91Zr) -- 3.5 Group 5 (51V, 93Nb) -- 3.5.1 Vanadium (51V) -- 3.5.2 Niobium (93Nb) -- 3.6 Group 6 (95Mo, l83W) -- 3.6.1 Molybdenum (95Mo) -- 3.6.2 Tungsten (183W) -- 3.7 Group 7 (55Mn) -- 3.7.1 Manganese (55Mn) -- 3.8 Group 8 (57Fe) -- 3.8.1 Iron (57Fe) -- 3.9 Group 9 (59Co, 103Rh) -- 3.9.1 Cobalt (59Co) -- 3.9.2 Rhodium (103Rh) -- 3.10 Group 10 (61Ni, 195Pt) -- 3.10.1 Nickel (61Ni) -- 3.10.2 Platinum (195Pt) -- 3.11 Group 11 (63Cu,109 Ag) -- 3.11.1 Copper (63Cu) -- 3.11.2 Silver (109Ag) -- 3.12 Group 12 (67Zn, 133Cd, 199Hg) -- 3.12.1 Zinc (67Zn) -- 3.12.2 Cadmium (113Cd) -- 3.12.3 Mercury (199Hg) -- 3.13 Group 13 (11B, 27A1,69,71Ga, 115In, 205T1) -- 3.13.1 Boron (11B) -- 3.13.2 Aluminium (27A1) -- 3.13.3 Gallium (69,71Ga) -- 3.13.4 Thallium(205T1) -- 3.14 Group 14 (13C, 29Si, 73Ge, 119Sn, 207Pb) -- 3.14.1 Carbon (13C) -- 3.14.2 Silicon (29Si) -- 3.14.3 Tin (117,119Sn) -- 3.14.4 Lead (207Pb) -- 3.15 Group 15 (15N, 31P, 121,123Sb, 209Bi) -- 3.15.1 Nitrogen (15N) -- 3.15.2 Phosphorus (31P) -- 3.15.3 Antimony (121Sb) -- 3.16 Group 16 (170,33S, 77Se, 125Te) -- 3.16.1 Oxygen (170) -- 3.16.2 Sulfur (33S) -- 3.16.3 Selenium (77Se) -- 3.16.4 Tellurium (125Te) -- 3.17 Group 17 (19F,35CI) -- 3.17.1 Fluorine (19F) -- 3.17.2 Chlorine (35CI) -- 3.18 Group 18 (3He, 129,131Xe) -- 3.18.1 Helium (3He) -- 3.18.2 Xenon (128,131Xe) -- 4 References -- CHAPTER 4 Theoretical Aspects of Spin-Spin Couplings -- 1 Introduction -- 2 Ab Initio Calculation. , 2.1 Multiconfiguration Self-Consistent Field Calculation -- 2.2 Coupled-Cluster Method -- 2.3 Perturbation Method -- 2.4 The Bond Length Dependence of 1J(H,H) and 1J(H,D) -- 2.5 Random Phase Approximation -- 2.6 Self-Consistent Field Calculations -- 3 Density Functional Theory -- 4 Indirect Couplings in Solid States -- 5 Semiempirical Calculations -- 5.1 INDO Approximation -- 5.2 MBOHO Calculation -- 6 Conformational Analysis -- 7 References -- CHAPTER 5 Applications of Spin-Spin Couplings -- 1 Introduction -- 2 Methods -- 3 One-Bond Couplings to Hydrogen -- 4 One-Bond Couplings Not Involving Hydrogen -- 5 Two-Bond Couplings to Hydrogen -- 6 Two-Bond Couplings Not Involving Hydrogen -- 7 Three-Bond Hydrogen-Hydrogen Couplings -- 8 Three-Bond Couplings Between Hydrogen and Heteronuclei -- 9 Three-Bond Couplings Not Involving Hydrogen -- 10 Couplings Over More Than Three Bonds, and Through-Space -- 11 References -- CHAPTER 6 Nuclear Spin Relaxation in Liquids -- 1 Introduction -- 2 General, Physical and Experimental Aspects of Nuclear Spin Relaxation -- 2.1 General Aspects -- 2.2 Experimental Aspects -- 2.3 Relaxation in Coupled Spin Systems -- 2.4 NOESY and ROESY -- 2.5 Exchange Spectroscopy -- 2.6 Quadrupolar Interactions -- 2.7 Paramagnetic Systems -- 2.8 Models for Molecular Dynamics -- 2.9 Supercooled Liquids Near the Glass Transition -- 2.10 Miscellaneous -- 3 Selected Applications of Nuclear Spin Relaxation -- 3.1 Pure Liquids -- 3.2 Solutions of Non-Electrolytes -- 3.3 Electrolyte Solutions -- 3.4 Low-temperature Molten Salts -- 3.5 Alkali Metal Complexes -- 3.6 Transition Metal Complexes -- 4 Self-Diffusion in Liquids -- 4.1 Experimental Aspects -- 4.2 Selected Examples -- 5 References -- CHAPTER 7 Solid State NMR -- 1 Introduction -- 2 Reviews -- 3 Technique Development -- 3.1 Theoretical -- 3.2 Experimental -- 4 Carbonaceous Materials. , 4.1 Coals, Pitches and Oil Shales -- 4.2 Fullerenes, Diamonds and Other Carbons -- 5 Organic Materials -- 5.1 General -- 5.2 Organometallics -- 5.3 Bio-organic Systems -- 5.4 Membranes, Bilayers, Cell Walls and Woods -- 5.5 Liquid Crystals -- 5.6 Organic Conductors -- 5.7 Polymers -- 6 Organic/Inorganic Materials -- 6.1 General -- 6.2 Polysiloxanes -- 7 Inorganic Materials -- 7.1 General -- 7.2 Crystalline Silicates and Aluminosilicates -- 7.3 Microporous and Mesoporous Materials -- 7.3.1 Silicate-based Systems -- 7.3.2 Other Structural Studies -- 7.3.3 In Situ Reactions and Surface Reactions -- 7.4 Glasses -- 7.5 Ceramics -- 7.6 Aluminas -- 7.7 Superconductors -- 8 Miscellaneous -- 8.1 General -- 8.2 Foodstuffs -- 8.3 Soils -- 8.4 Dynamics and Intercalates -- 8.5 Magnetic Materials -- 8.6 Metals and Alloys -- 9 References -- CHAPTER 8 Multiple Pulse NMR -- 1 Introduction -- 2 Variation of the Radiofrequency Pulse -- 2.1 Composite and Decoupling Pulses -- 2.2 Selective Excitation Pulses -- 2.3 Solvent Suppression -- 3 Homonuclear Correlation Spectroscopy -- 3.1 Determination of Scaler Coupling Constants -- 3.2 Homonuclear Correlation -- 4 Dipolar Coupling, Chemical Exchange and Relaxation Time Experiments -- 4.1 Dipolar Coupling and Chemical Exchange -- 4.2 Relaxation Time Measurements -- 5 Heteronuclear Experiments -- 5.1 Inverse Proton-detected Correlation Spectroscopy -- 5.1.1 General -- 5.1.2 Isotope-filtered Experiments -- 5.1.3 Isotope-edited Experiments -- 5.2 Scalar Coupling Constants Using Heteronuclear Proton-detection Experiments -- 5.3 Gradient Enhanced Inverse Detection Heteronuclear Experiments -- 5.3.1 B0 Gradients -- 6 Three- and Four-dimensional NMR -- 6.1 Heteronuclear Triple (1H, 13C, 15N) Resonance Three-dimensional Experiments -- 6.2 Heteronuclear Triple (1H, 13C, 31P) Resonance Three-dimensional Experiments. , 6.3 Triple Resonance Two-dimensional Experiments -- 6.4 Three-dimensional 13C-1H or 15N-1H Experiments -- 6.5 Four-dimensional Experiments -- 6.6 Scalar Coupling Constants Using nD Heteronuclear Experiments With Proton Detection -- 7 Analogues of nD Experiments -- 8 References -- CHAPTER 9 NMR of Natural Macromolecules -- 1 Introduction -- 2 Solution Structure Determination -- 2.1 Protein Structures -- 2.2 NMR Studies of 'Large' Proteins -- 2.3 Solution Structures of Nucleic Acids -- 2.4 DNA/RNA Complexes -- 2.5 Protein-Nucleic Acid Complexes -- 3 Chemical Shifts -- 4 Spin-Spin Coupling Constants -- 5 Pulse Field Gradient Translational Diffusion Measurements -- 6 Nuclear Relaxation -- 6.1 Measurements of 15N Nuclear Relaxation -- 6.2 Measurements of 13C Nuclear Relaxation -- 7 Deuteration in NMR Studies of Proteins -- 7.1 Deuteration for Assignment and Structure Determination -- 7.2 Studies of 2H Nuclear Relaxation -- 8 NMR Studies of Arginine Residues -- 9 Heteronuclear Magnetic-Dipole Coupling -- 10 Bound Water Molecules and Exchangeable Protons -- 11 Wideband Spin Decoupling Based on Adiabatic Pulses -- 12 NMR Studies of Protein Folding -- 13 New Computer Software for NMR -- 14 Acidity Constants for Side Chains in Proteins -- 15 References -- CHAPTER 10 Synthetic Macromolecules -- 1 Introduction and Reviews -- 2 Solution State Studies on the Microstructure of the Single Chain -- 3 Dynamic Processes -- 4 Dendrimers and Networks -- 5 Liquid Crystalline Polymer Systems -- 6 Solid Polymers: CP-MAS Studies -- 7 Blends of Solid Polymers -- 8 Images of Polymer Systems -- 9 Studies with Hetero Atoms -- 10 References -- CHAPTER 11 Conformational Analysis -- 1 Introduction -- 2 Methods -- 3 Small Organic Molecules -- 4 Nucleic Acids -- 5 Proteins and Peptides -- 6 Carbohydrates -- 7 Lipids, Membranes, Liquid Crystals, Polymers and Solid State NMR. , 7.1 Lipids, Membranes.

Note: Nuclear Magnetic Resonance -- Contents -- Chapter 1 NMR Books and Reviews -- 1 Books -- 2 Regular Reviews Series -- 3 Edited Books and Symposia -- 4 Reviews in Periodicals -- 5 Reviews and Books in Foreign Languages -- Chapter 2 Theoretical and Physical Aspects of Nuclear Shielding -- 1 Theoretical Aspects of Nuclear Shielding -- 1.1 General Theory -- 1.2 Ab Initio Calculations -- 2 Physical Aspects of Nuclear Shielding -- 2.1 Anisotropy of the Shielding Tensor -- 2.2 Shielding Surfaces and Rovibrational Averaging -- 2.3 Isotope Shifts -- 2.4 Intermolecular Effects on Nuclear Shielding -- 3 References -- Chapter 3 Applications of Nuclear Shielding -- 1 Introduction -- 2 Various Chemical and Nuclear Influences to Nuclear Shieldings -- 2.1 Computer Assisted Structural Assignment -- 2.1.1 Spectrum Simulation, Computer Assisted Assignments and Related Techniques -- 2.1.2 Nuclear Shielding Calculations -- 2.2 Stereochemical and Nuclear Shielding Non-Equivalence -- 2.2.1 Chirality Determination by Mosher's and Related Methods -- 2.2.2 Other Stereochemistry Determination -- 2.3 Isotope Effects -- 2.4 Substituent Effects -- 2.4.1 Proton Substituent Effects -- 2.4.2 Carbon and Heteroatom Substituent Effects -- 2.5 Intramolecular Hydrogen Bonding Effects and Related Effects -- 2.6 Bond Anisotropy, Ring Current Effects and Aromaticity -- 2.7 Intermolecular Hydrogen Bonding Effects, Inclusion Phenomena and Related Effects -- 2.7.1 Proton and Heteronuclear Shifts -- 2.7.2 Cyclodextrins (CDs) -- 2.7.3 Other Molecular Recognition -- 2.8 Shift Reagent -- 2.9 Miscellaneous Topics -- 2.10 Reviews -- 3 Shieldings of Particular Nuclear Species -- 3.1 Group 1 (1H,2H,3H,6,7Li,23Na,87Rb,133Cs) -- 3.1.1 Hydrogen (1H) -- 3.1.2 Deuterium (2H) -- 3.1.3 Tritium (3H) -- 3.1.4 Lithium (6-7Li) -- 3.1.5 Sodium (23Na) -- 3.1.6 Rubidium (87Rb) -- 3.1.7 Caesium (133Cs). , 3.2 Group2(9Be,25Mg,137Ba) -- 3.2.1 Beryllium (9Be) -- 3.2.2 Magnesium (25Mg) -- 3.2.3 Barium (137Ba) -- 3.3 Group3andLanthanoids(45Sc,89Y,139La,153Eu) -- 3.3.1 Scandium (45Sc) -- 3.3.2 Yttrium (89Y) -- 3.3.3 Lanthanum (139La) -- 3.3.4 Europium (l53Eu) -- 3.4 Group 4 (47,47Ti) -- 3.5 Group 5 (51V,93Nb) -- 3.5.1 Vanadium (51V) -- 3.5.2 Niobium (93Nb) -- 3.6 Group 6(95Mo,183W) -- 3.6.1 Molybdenum (95Mo) -- 3.6.2 Tungsten (183W) -- 3.7 Group 7 (55Mn,99Tc) -- 3.7.1 Manganese (55Mn) -- 3.7.2 Technetium (99Tc) -- 3.8 Group 8 (57Fe,99Ru) -- 3.8.1 Iron(57Fe) -- 3.8.2 Ruthenium (99Ru) -- 3.9 Group 9(59Co,103Rh) -- 3.9.1 Cobalt (59Co) -- 3.9.2 Rhodium (103Rh) -- 3.10 Group 10(195Pt) -- 3.10.1 Platinum (195Pt) -- 3.11 Group 11 (63Cu,107,109Ag) -- 3.11.1 Copper (63Cu) -- 3.11.2 Silver (107,109Ag) -- 3.12 Group 12 (67Zn,111,113Cd,199Hg) -- 3.12.1 Zinc(67Zn) -- 3.12.2 Cadmium (111,1113Cd) -- 3.12.3 Mercury (199Hg) -- 3.13 Group 13 (11B,27Al,71Ga,203,205Tl) -- 3.13.1 Boron (11B) -- 3.13.2 Aluminium (27A1) -- 3.13.3 Gallium (71Ga) -- 3.13.4 Thallium (203,205T1) -- 3.14 Group 14 (13C,29Si,73Ge,117,ll9Sn,207Pb) -- 3.14.1 Carbon (13C) -- 3.14.2 Silicon (29Si) -- 3.14.3 Germanium (73Ge) -- 3.14.4 Tin(117,119Sn) -- 3.14.5 Lead(207Pb) -- 3.15 Group 15(14,15N,31P) -- 3.15.1 Nitrogen (14,15N) -- 3.15.2 Phosphorus (31P) -- 3.16 Group 16 (170,33S,77Se,125Te) -- 3.16.1 Oxygen (170) -- 3.16.2 Sulfur (33S) -- 3.16.3 Selenium (77Se) -- 3.16.4 Tellurium (125Te) -- 3.17 Group 17 (19F,35,37C1) -- 3.17.1 Fluorine (19F) -- 3.17.2 Chlorine (35,37C1) -- 3.18 Group 18 (3He,129Xe) -- 3.18.1 Helium (3He) -- 3.18.2 Xenon (129Xe) -- References -- Chapter 4 Theoretical Aspects of Spin-Spin Couplings -- 1 Introduction -- 2 Origin of the Diamagnetic Term in Four-Component Relatavistic Calculations -- 3 Rovibrational Effects. , 3.1 Rovibrationally Averaged Spin-Spin Coupling of the Hydrogen Fluoride Molecule -- 3.2 Spin-Spin Coupling Surfaces in the Water Molecule, Oxonium Ion, and Hydroxyl Ion -- 4 Basis Set Dependence of Nuclear Spin-Spin Coupling Constants -- 4.1 Multiconfigurational Self-Consistent Field Calculations -- 4.2 Second-Order Polarization Propagator Approximation Calculations -- 5 Other Ab Initio Calculations -- 6 Density Functional Theory Calculations -- 7 Semi-Empirical and Other Calculations -- 8 References -- Chapter 5 Applications of Spin-Spin Couplings -- 1 Introduction -- 2 Methods -- 3 One-Bond Couplings to Hydrogen -- 4 One-Bond Couplings Not Involving Hydrogen -- 5 Two-Bond Couplings to Hydrogen -- 6 Two-Bond Couplings Not Involving Hydrogen -- 7 Three-Bond Hydrogen-Hydrogen Couplings -- 8 Three-Bond Couplings Between Hydrogen and Heteronuclei -- 9 Three-Bond Couplings Not Involving Hydrogen -- 10 Couplings Over More Than Three Bonds -- 11 Non-Typical Couplings -- 12 References -- Chapter 6 Nuclear Spin Relaxation in Liquids and Gases -- 1 Introduction -- 2 General, Physical and Experimental Aspects of Nuclear Spin Relaxation -- 2.1 General Aspects -- 2.2 Experimental Aspects -- 2.3 Relaxation in Coupled Spin Systems -- 2.4 Dipolar Couplings and Distance Information -- 2.5 Exchange Spectroscopy -- 2.6 Radiation Damping -- 2.7 Quadrupolar Interactions -- 2.8 Intermolecular Dipolar Interaction in Diamagnetic and Paramagnetic Solution -- 2.9 Slow Motions in Glasses -- 2.10 Models for Molecular Dynamics -- 3 Selected Applications of Nuclear Spin Relaxation -- 3.1 Pure Liquids -- 3.2 Non-Electrolyte Solutions -- 3.3 Electrolyte Solutions -- 3.4 Transition Metal Complexes -- 3.5 Molten Salts -- 4 Nuclear Spin Relaxation in Gases -- 5 Self-Diffusion in Liquids -- 5.1 Experimental and Theoretical Aspects -- 5.2 Selected Examples -- 6 References. , Chapter 7 Solid State NMR -- 1 Introduction -- 2 Technique Development -- 2.1 Theoretical -- 2.2 Experimental -- 3 Carbonaceous Materials -- 3.1 Coals, Pitches and Oil Shales -- 3.2 Fullerenes, Diamonds and Other Carbons -- 4 Organic Materials -- 4.1 General -- 4.2 Organometallics -- 4.3 Bio-organic -- 4.4 Liquid Crystals, Membranes, Bilayers, Cell Walls and Woods -- 5 Organic-Inorganic Materials -- 5.1 General -- 5.2 Soils and Humic Substances -- 6 Inorganic Materials -- 6.1 General -- 6.2 Silicates and Aluminosilicates -- 6.3 Microporous and Mesoporous Materials -- 6.3.1 Silicate-Based Systems -- 6.3.2 Other Structural Studies -- 6.3.3 In-Situ and Surface Reactions -- 6.4 Glasses -- 6.5 Ceramics -- 7 Miscellaneous -- 7.1 General -- 7.2 Dynamics and Intercalates -- 8 References -- Chapter 8 Multiple Pulse NMR -- 1 Introduction -- 2 Variation of the Radiofrequency Pulse -- 2.1 Selective Excitation/Inversion Pulses -- 2.3 Solvent Suppression -- 3 Homonuclear Correlation Spectroscopy -- 2.2 Pulse Field Gradients -- 4 NOE, Chemical Exchange and Relaxation -- 4.1 NOE and Chemical Exchange -- 4.2 Relaxation Time Measurements -- 4.3 Translational Diffusion Measurements -- 5 Inverse Proton Detected Correlation Spectroscopy -- 5.1 General -- 5.2 Isotope Filtered and Edited Experiments -- 5.3 Scalar Coupling Constants Measurements -- 5.3.1 Quantitative J-Correlation -- 5.3.2 E-COSY -- 5.3.3 Spin-State Selective Experiments -- 5.3.4 Other -- 5.4 Heteronuclear Double Resonance Experiments -- 5.4.1 HSQC -- 5.4.2 HCCH -- 5.4.3 Other -- 5.5 Heteronuclear Triple Resonance Experiments -- 6 References -- Chapter 9 NMR of Nucleic Acids and Proteins -- 1 Introduction -- 2 Proteins -- 2.1 Landmark Protein Structures -- 2.2 Protein-Ligand Complexes -- 2.3 Protein-Lipid Interactions -- 3 Nucleic Acids -- 3.1 RNA Psuedoknots -- 3.2 Double-Isotope Labelled DNA Molecules. , 3.3 Ion Binding to Nucleic Acids -- 3.4 Nucleic Acid Adducts -- 3.5 Nucleic Acid Aptamers -- 4 Technical Developments -- 4.1 Transverse Relaxation-Optimised Spectroscopy (TROSY) -- 4.2 Scalar Coupling Across Hydrogen Bonds -- 4.3 Low Viscosity Solvents -- 4.4 Structural Restraints from Databases -- 4.5 J-Couplings -- 4.6 Software Developments -- 4.7 SAR-by-NMR -- 4.8 Resonance Assignments and Pulse Sequences -- 4.9 Macromolecular Hydration -- 4.10 Methyl Protonation in a Deuterated Background -- 4.11 Segmentals Labelled Proteins -- 4.12 Studies of a Protein Photointermediate -- 5 Measurements of Residual Dipolar Couplings -- 5.1 Background -- 5.2 Residual Dipolar Couplings in Structural Refinement -- 5.3 Liquid Crystalline Media for Partial Alignment -- 5.4 New Methods for Measurement of Residual Dipolar Couplings -- 5.5 Impact of Residual Dipolar Couplings on Macromolecular Structures -- 6 Study of Protein Dynamics Through Heteronuclear Relaxation Measurements -- 6.1 Methodological Developments -- 6.1.1 Study of Chemical Exchange -- 6.1.2 Improving the Accuracy of Relaxation Experiments and Their Interpretation -- 6.1.3 Relaxation Measurements Incorporating 15N CSA/Dipole Cross Correlation -- 6.1.4 Measurement of Side Chain Dynamics -- 6.1.5 Mechanistic Interpretation of the Dynamics Underlying Relaxation -- 6.2 Applications -- 6.2.1 Protein-Nucleic Acid Interactions -- 6.2.2 Protein-Protein Interactions -- 6.2.3 Enzyme Function -- 6.2.4 Protein-Metal Binding -- 6.2.5 Protein Structure and Stability -- 6.2.6 Protein Folding -- 6.2.7 Protein-Ligand Binding Effects -- 6.2.8 Redox Proteins -- 6.2.9 Dynamics in Multidomain Proteins -- 7 References -- Chapter 10 NMR of Carbohydrates, Lipids and Membranes -- 1 Introduction -- 2 Polysaccharides and Cyclodextrins -- 3 Carbohydrate-Based Natural Products -- 4 Membrane Studies, Glycoproteins and Gangliosides. , 5 Proteoglycans.