| Introduction | |
| List of Participants | |
| An Overview of Nuclear Shielding Calculations | p. 1 |
| Experimental and Theoretical Studies of the Chemical Shift Tensors of Pnictides and Fluorophosphates | p. 27 |
| Solid State NMR Chemical Shifts of Chalcogenides and Phosphides | p. 49 |
| Intra- and Intermolecular Electrical Effects on Nuclear Magnetic Resonance, Nuclear Quadrupole Resonance and Infra-Red Spectroscopic Parameters from Ab Initio Calculation and Experiment: From CO to Proteins | p. 75 |
| The Nuclear Shielding Surface: The Shielding as a Function of Molecular Geometry and Intermolecular Separation | p. 95 |
| Ab-Initio Calculation and Analysis of Nuclear Magnetic Shielding Tensors: the LORG and SOLO Approaches | p. 117 |
| The IGLO Method. Recent Developments | p. 141 |
| Electronic Current Density Induced by Magnetic Fields and Magnetic Moments in Molecules | p. 163 |
| Shielding Tensor Data and Structure: The Bond-Related Chemical Shift Concept | p. 191 |
| Investigation of Structural Phase Transitions in Oxide Materials Using High-Resolution NMR Spectroscopy | p. 203 |
| A Model Study of Chemical Shielding in a Partially Hydrated Dipeptide | p. 221 |
| Efficient Implementation of the GIAO Method for Magnetic Properties: Theory and Application | p. 243 |
| Electronic Mechanisms of Metal Chemical Shifts from Ab Initio Theory | p. 263 |
| Applications of NMR Shielding Constant Calculations in Mineralogy and Geochemistry | p. 279 |
| Applications of Dipolar NMR Spectroscopy in Characterizing Nitrogen and Phosphorus Shielding Tensors | p. 297 |
| Comparisons of Shielding Anisotropies for Different Nuclei and Other Insights into Shielding from an Experimentalist's Viewpoint | p. 315 |
| An Origin-independent Theory for Calculation of NMR Shielding Constants | p. 335 |
| Correlated and Gauge Invariant Calculations of Nuclear Shielding Constants | p. 351 |
| Carbon-13 Chemical Shielding Tensors in Sugars: Sucrose and Methyl-[alpha]-D-glucopyranoside | p. 367 |
| IGLO Calculations of [superscript 29]Si NMR Chemical Shift Anisotropies in Silicate Models | p. 385 |
| Effects of Isotopic Substitution and Temperature on Nuclear Magnetic Shielding | p. 401 |
| The Role of NMR Shifts in Structural Studies of Glasses, Ceramics and Minerals | p. 421 |
| The Influence of Structure and Geometry on the [superscript 31]P, [superscript 29]Si, [superscript 13]C and [superscript 1]H Chemical Shifts | p. 435 |
| Nitrogen shielding tensors | p. 449 |
| [Superscript 1]H and [superscript 13]C Solid-State NMR Studies of Catalytic Reactions on Molecular Sieves | p. 473 |
| Theoretical Study of Chemical Shielding in Silatrane and its Derivatives | p. 495 |
| Ab Initio IGLO Studies of the Conformational Dependence of the [gamma]-Effect in the [superscript 13]C NMR Spectra of Cyclic Hydrocarbons | p. 523 |
| Gas Phase Measurement and Ab Initio Calculations of [superscript 77]Se and [superscript 113]Cd Chemical Shifts | p. 539 |
| Overview and Directions for the Future | p. 557 |
| Abstracts of Poster Presentations | p. 561 |
| The Structure of B[subscript 8]H[subscript 8] [superscript -2] in Solution. Is B[subscript 8]H[subscript 9]- also Involved? | |
| A General Shape for Intra- and Intermolecular Shielding Functions | |
| Experimental Characterization of [superscript 31]P Chemical Shift Tensors in Phosphine Derivatives | |
| IGLO Calculations of Phosphorus NMR Chemical Shifts | |
| [Superscript 13]C Orbital Shift Calculation in Graphite Intercalation Compounds | |
| Evaluation of Chemical Shifts in Solid State NMR by Electronegativity Equalization Principle | |
| [Superscript 129]Xe Shielding as a Probe of Zeolite Structure and Dynamics | |
| NMR Shielding and Atoms in Molecules | |
| Experimental and Calculated Nitrogen Shielding Tensors in the Nitroso Group | |
| Calculations of NMR Shielding Constants using a Combination of Pseudo-potential and IGLO Methods | |
| Quantum-chemical Calculations of Chemical Shifts of Adsorbed Molecules | |
| A New Analysis of Proton Chemical Shifts in Proteins | |
| Electron Surroundings of Cs[superscript +] in the Graphite Intercalation Compound Cs[actual symbol not reproducible][subscript 1](THF)[actual symbol not reproducible][subscript 1.5]C[subscript 24], as Observed by [superscript 133]Cs NMR | |
| On the Calculations of Deuterium Long Range Isotope Effects on Carbon-13 Chemical Shifts | |
| GIAO Calculations of the NMR Chemical Shift for Large Molecules | |
| Is There a Viable Alternative to the Coulomb Gauge for GIAO Calculations of Magnetic Properties? | |
| Index | p. 579 |
| Table of Contents provided by Blackwell. All Rights Reserved. |
