title: A first-principles description of proton-driven spin diffusion.
abstract: 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.
authors.affiliation: Université de Lyon (ENS Lyon/CNRS/UCB Lyon1), Centre de RMN à très hauts champs, 5 rue de la Doua, 69100 Villeurbanne, France.
authors.forename: Jean-Nicolas
authors.initials: JN
authors.lastname: Dumez
authors.forename: Meghan E
authors.initials: ME
authors.lastname: Halse
authors.forename: Mark C
authors.initials: MC
authors.lastname: Butler
authors.forename: Lyndon
authors.initials: L
authors.lastname: Emsley