Annual Reports on NMR Spectroscopy

Annual Reports on NMR Spectroscopy, has established itself as a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications pertaining to NMR spectroscopy.

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Webb, Graham A.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: San Diego : Elsevier Science & Technology, 2020.
Colección:Issn Ser.
Temas:
Nuclear magnetic resonance spectroscopy.
Spectrum analysis.
Magnetic Resonance Spectroscopy
Spectroscopie de la r�esonance magn�etique nucl�eaire.
Nuclear magnetic resonance spectroscopy
Spectrum analysis
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Intro
  • Annual Reports on NMR spectroscopy
  • Copyright
  • Contents
  • Contributors
  • Preface
  • Chapter One: Versatile NMR simulations using SIMPSON
  • 1. Introduction
  • 2. Basic concepts
  • 2.1. Elements of the SIMPSON input file
  • 2.2. Theory overview
  • 3. Basic SIMPSON examples
  • 3.1. CSA static and MAS
  • 3.2. H decoupling
  • 3.3. Cross-polarization
  • 3.4. REDOR
  • 3.5. Fitting an experimental spectrum
  • 3.6. Satellite transitions for quadrupolar nuclei
  • 3.7. Second-order quadrupolar line shapes
  • 3.8. RF pulses for quadrupolar nuclei
  • 3.9. Triple-quantum coherence excitation in MQMAS experiments
  • 4. SIMMOL
  • 4.1. Establishment of a spin system
  • 5. NMR simulations of proteins and peptides
  • 5.1. PISA wheels
  • 5.2. Ultrafast magic-angle spinning
  • 5.3. NCOCA solid-state NMR optimization
  • 6. Optimal control
  • 7. Dynamics
  • 8. Conclusions
  • Acknowledgements
  • References
  • Chapter Two: Total line shape analysis of high-resolution NMR spectra
  • 1. Introduction
  • 2. The essence of the analysis of high-resolution NMR spectra
  • 3. Solution of the direct problem-Theoretical calculation of NMR spectra
  • 4. Some structural features of high-resolution NMR spectra
  • 5. The ways for error function construction
  • 6. Methods for optimization of spin system parameters
  • 7. About the error estimates of spin system parameters
  • 8. Examples of NMR spectra analysis
  • 9. Experimental spectra preparation for the total line shape analysis
  • 10. Conclusion
  • Acknowledgements
  • References
  • Further reading
  • Chapter Three: Recent advances in chlorine, bromine, and iodine solid-state NMR spectroscopy
  • 1. Introduction
  • 2. Theory and modelling
  • 2.1. Interactions and definitions
  • 2.2. Second-order perturbation theory vs an exact treatment of the quadrupolar interaction
  • 3. Solid-state chlorine-35/37 nuclear magnetic resonance
  • 4. Solid-state bromine-79/81 nuclear magnetic resonance
  • 5. Solid-state iodine-127 nuclear magnetic resonance
  • 6. January 2020 update
  • 7. Concluding remarks
  • Acknowledgement
  • References
  • Chapter Four: Solid-state covariance NMR spectroscopy: An update
  • 1. Introduction
  • 2. Overview of covariance NMR spectroscopy
  • 3. Applications of solid-state covariance NMR spectroscopy
  • 3.1. Inorganic materials
  • 3.2. Biological solids
  • 4. Improvement of covariance toward further time-saving
  • 4.1. NUS
  • 4.2. Accumulation profile
  • 4.3. Alternative States sampling
  • 5. Variants of solid-state covariance NMR spectroscopy
  • 5.1. Indirect covariance
  • 5.2. Dual transformation
  • 5.3. HETCOR
  • 5.4. phase covariance
  • 5.5. Inner-product spectroscopy
  • 5.6. T2* weighted deconvolution (TIDE)
  • 6. Summary
  • Acknowledgements
  • References
  • Further reading
  • Chapter Five: Recent MRI and diffusion studies of food structures
  • 1. Introduction
  • 2. Imaging
  • 2.1. New developments: Fast imaging and dedicated instrumentation

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