A first-principles description of proton-driven spin diffusion

J.-N. Dumez, M.E. Halse, M.C. Butler, L. Emsley

Research output: Contribution to journalArticlepeer-review


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.
Original languageEnglish
Pages (from-to)86-89
Number of pages4
JournalPhysical Chemistry Chemical Physics
Issue number1
Early online date15 Nov 2011
Publication statusPublished - 7 Jan 2012

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