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" Nuclear Magnetic Shieldings and Molecular Structure "
edited by J.A. Tossell.
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BL
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| Record Number
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728731
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b548483
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| Main Entry
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edited by J.A. Tossell.
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| Title & Author
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Nuclear Magnetic Shieldings and Molecular Structure\ edited by J.A. Tossell.
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| Publication Statement
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Dordrecht: Springer Netherlands, 1993
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| Series Statement
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NATO ASI series., Series C,, Mathematical and physical sciences ;, 386.
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| Page. NO
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(xvi, 584 pages).
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| ISBN
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9401047227
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: 9401116520
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: 9789401047227
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: 9789401116527
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| Contents
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Invited Lectures --;An Overview of Nuclear Shielding Calculations --;Experimental and Theoretical Studies of the Chemical Shift Tensors of Pnictides and Fluorophosphates --;Solid State NMR Chemical Shifts of Chalcogenides and Phosphides --;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 --;The Nuclear Shielding Surface: The Shielding as a Function of Molecular Geometry and Intermolecular Separation --;Ab-Initio Calculation and Analysis of Nuclear Magnetic Shielding Tensors: the LORG and SOLO Approaches --;The IGLO Method. Recent Developments --;Electronic Current Density Induced by Magnetic Fields and Magnetic Moments in Molecules --;Shielding Tensor Data and Structure: The Bond-Related Chemical Shift Concept --;Investigation of Structural Phase Transitions in Oxide Materials Using High-Resolution NMR Spectroscopy --;A Model Study of Chemical Shielding in a Partially Hydrated Dipeptide --;Efficient Implementation of the GIAO Method for Magnetic Properties: Theory and Application --;Electronic Mechanisms of Metal Chemical Shifts from Ab Initio Theory --;Applications of NMR Shielding Constant Calculations in Mineralogy and Geochemistry --;Applications of Dipolar NMR Spectroscopy in Characterizing Nitrogen and Phosphorus Shielding Tensors --;Comparisons of Shielding Anisotropies for Different Nuclei and Other Insights into Shielding from an Experimentalist's Viewpoint --;An Origin-independent Theory for Calculation of NMR Shielding Constants --;Correlated and Gauge Invariant Calculations of Nuclear Shielding Constants --;Carbon-13 Chemical Shielding Tensors in Sugars: Sucrose and Methyl-?-D-glucopyranoside --;IGLO Calculations of 29Si NMR Chemical Shift Anisotropies in Silicate Models --;Effects of Isotopic Substitution and Temperature on Nuclear Magnetic Shielding --;The Role of NMR Shifts in Structural Studies of Glasses, Ceramics and Minerals --;The Influence of Structure and Geometry on the 31P, 29Si, 13C and 1H Chemical Shifts --;Nitrogen shielding tensors --;1H and 13C Solid-State NMR Studies of Catalytic Reactions on Molecular Sieves --;Theoretical Study of Chemical Shielding in Silatrane and its Derivatives --;Ab Initio IGLO Studies of the Conformational Dependence of the?-Effect in the 13C NMR Spectra of Cyclic Hydrocarbons --;Gas Phase Measurement and Ab Initio Calculations of 77Se and 113Cd Chemical Shifts --;Overview and Directions for the Future --;Abstracts of Poster Presentations.
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| Abstract
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Proceedings of the NATO Advanced Research Workshop on `The Calculation of NMR Shielding Constants and Their Use in the Determination of the Geometric and Electronic Structures of Molecules and Solids', College Park, MD, U.S.A., July 20-24, 1992
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Chemistry, Inorganic.
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Chemistry.
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Physical organic chemistry.
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| LC Classification
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QD96.N8E358 1993
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| Added Entry
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J A Tossell
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| Parallel Title
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Proceedings of the NATO Advanced Research Workshop on `The Calculation of NMR Shielding Constants and Their Use in the Determination of the Geometric and Electronic Structures of Molecules and Solids', College Park, MD, U.S.A., July 20-24, 1992
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