Classical and Quantum Molecular Dynamics in NMR Spectra

• Main Authors: Szymański, Sławomir (Author, http://id.loc.gov/vocabulary/relators/aut), Bernatowicz, Piotr (http://id.loc.gov/vocabulary/relators/aut)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2018.
• Edition: 1st ed. 2018.
• Subjects: Spectroscopy.; Microscopy.; Physics.; Solid state physics.; Statistical physics.; Spectroscopy and Microscopy.; Numerical and Computational Physics, Simulation.; Spectroscopy/Spectrometry.; Solid State Physics.; Statistical Physics and Dynamical Systems.

The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theor...

Table of Contents:

• 1 Introduction
• 2 Principles of NMR spectroscopy
• 3 NMR Spectroscopy and Molecular Dynamics - an Outlook
• 4 Nuclear spin relaxation effects in NMR spectra
• 5 Discrete Molecular Dynamics and NMR Line Shape Effects. Intramolecular Exchange
• 6 Discrete Molecular Dynamics and NMR Line Shape Effects. General Exchange
• 7 Rotational tunneling in stick NMR spectra of solids
• 8 Quantum molecular dynamics in liquid-phase NMR spectra
• 9 Quantum mechanical rate processes in NMR spectra
• A Selected properties of matrices
• B Derivation of a general DNMR lineshape equation
• C Nuclear permutation symmetry in NMR spectra.