Titlebook: Classical and Quantum Molecular Dynamics in NMR Spectra; Sławomir‘Szymański ,Piotr Bernatowicz Book 2018 Springer International Publishing

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Discrete Molecular Dynamics and NMR Line Shape Effects. General Exchange,. The issue of molecular symmetry in intermolecular exchange is addressed. The formalism is illustrated by a number of simple examples, where explicit forms of the exchange superoperators are presented.

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Rotational Tunneling in Stick NMR Spectra of Solids,reedom are quantized. This approach can fail for atomic groupings of a periodic structure whose topomers differ by permuted labels of light nuclei such as protons or deuterons, and are separated by low energy barriers. The spectra of such systems can show apparent proton-proton or deuteron-deuteron

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Quantum Molecular Dynamics in Liquid-Phase Stick NMR Spectra,r transition metal polyhydride complexes in solution, for which anomalously large, apparent proton–proton couplings were reported. They were once recognized, not without astonishment, to be of the same origin as the rotational tunneling effects in solids. The representative experimental material wil

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