Dumez, Jean-NicolasHalse, Meghan E.Butler, Mark C.Emsley, Lyndon2015-01-082015-01-082015-01-08201210.1039/c1cp22662bhttps://infoscience.epfl.ch/handle/20.500.14299/109999WOS:000297593800008Herein 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.A first-principles description of proton-driven spin diffusiontext::journal::journal article::research article