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    1. Naturvetenskap och teknik
    2. Matematik och naturvetenskap
    3. Kemi
    4. Analytisk kemi

    Modern NMR Crystallography

    Concepts and Applications

    AvDavid L Bryce

    Inbunden, Engelska, 2025

    Del i serien New Developments in NMR

    3 913 kr

    Beställningsvara. Skickas inom 5-8 vardagar. Fri frakt över 249 kr.

    Beskrivning

    NMR crystallography has blossomed as a focussed field of research in recent years and is now acknowledged as such by the International Union of Crystallography. The term ‘NMR crystallography’ itself has proven to be inclusive of many NMR-centric approaches which seek to solve or refine crystal structures. Since the publication of a seminal book over ten years ago, there have been numerous advances in experimental methodology, in computational tools, and in the fruitful combination of these to provide new insights into structure and dynamics in a range of solid materials. This book presents insightful contributions describing these advances as well as a broad range of cutting-edge applications to small molecules, pharmaceuticals, biomolecules, energy materials, and more. It highlights the complementarity of NMR, diffraction, and computational approaches and presents several examples where complete structure solutions are only possible via this synergy. Striking a balance between appealing to NMR experts and those outside the field, it will appeal to practitioners of diffraction-based crystallography and computational and theoretical chemists.

    Produktinformation

    • Utgivningsdatum:2025-03-31
    • Mått:156 x 234 x 43 mm
    • Vikt:1 341 g
    • Format:Inbunden
    • Språk:Engelska
    • Serie:New Developments in NMR
    • Antal sidor:780
    • Förlag:Royal Society of Chemistry
    • ISBN:9781837670666

    Utforska kategorier

    • Analytisk kemi inom Naturvetenskap och teknik
    • Kemi inom Naturvetenskap och teknik

    Mer om författaren

    David L. Bryce is Full Professor and University Research Chair in Nuclear Magnetic Resonance at the University of Ottawa. He is past Chair of the Department of Chemistry and Biomolecular Sciences, a Fellow of the Royal Society of Chemistry (UK), and an elected Fellow of the Royal Society of Canada. His current research interests include solid-state NMR of low-frequency quadrupolar nuclei, NMR studies of materials, NMR crystallography, halogen bonding, mechanochemistry, and quantum chemical interpretation of NMR interaction tensors. He is the author of approximately 185 scientific publications and co-author of one book. His group has authored NMR software products downloaded more than 500 times in 25 countries. He is the Editor-in-Chief of Solid State Nuclear Magnetic Resonance and Section Editor (Magnetic Resonance and Molecular Spectroscopy) for the Canadian Journal of Chemistry. From 2006-2020, he served as the Chair of Canada’s National Ultrahigh-Field NMR Facility for Solids.

    Innehållsförteckning

    • A Historical Perspective on NMR CrystallographyIntroduction to the Interactions of NMR and Their Application to NMR CrystallographyBasics of X-ray and Neutron DiffractionFirst-principles Calculation of NMR parametersQuantitative Tools for Structure Selection in NMR CrystallographyExperimental Solid-state NMR of the Periodic Table: Fundamentals and Advanced MethodsAccurate Predictions of Solid-state NMR ParametersCrystal Structure PredictionPredicting Solid-state NMR Observables via Machine LearningDynamic Nuclear Polarization for Solid-state NMR SpectroscopyOrganic Molecules and PolymorphismNMR Crystallization: The Application of NMR Strategies to Monitor the Evolution of Crystallization ProcessesThe Role of Non-covalent Interactions in Crystal PackingNMR Crystallography in Pharmaceutical DevelopmentDynamics in Organic SolidsResolving Structural Ambiguities via Solid-state NMRDisorder in Inorganic MaterialsGuest–Host SystemsProtein Structure from Magic-angle Spinning NMRApplications of MAS DNP to NMR Crystallography of Bulk Molecular SolidsMetal Halide Perovskite and Perovskite-inspired Materials: Solid-state NMR of Quadrupolar NucleiBattery MaterialsDifficult Systems