A first-principles description of proton-driven spin diffusion

Herein we design a reduced Liouville space for the simulation of proton-driven spin diffusion. Using this approach, the experimentally observed carbon-13 polarisation transfer in a powder sample undergoing magic-angle spinning is quantitatively described, directly from crystal geometry and without any adjustable parameters.


Published in:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14, 1, 86-89
Year:
2012
Publisher:
ROYAL SOC CHEMISTRY
ISSN:
1463-9076
Laboratories:




 Record created 2015-01-08, last modified 2018-03-17


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