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    Online Resource
    La Vergne :Royal Society of Chemistry, The,
    Keywords: Nuclear magnetic resonance. ; Electronic books.
    Description / Table of Contents: For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage.
    Type of Medium: Online Resource
    Pages: 1 online resource (628 pages)
    Edition: 1st ed.
    ISBN: 9781847553829
    Series Statement: Issn Series
    DDC: 543.0877
    Language: English
    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.
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