A first-principles description of proton-driven spin diffusion
2012
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.
Details
Title
A first-principles description of proton-driven spin diffusion
Author(s)
Dumez, Jean-Nicolas ; Halse, Meghan E. ; Butler, Mark C. ; Emsley, Lyndon
Published in
Physical Chemistry Chemical Physics
Volume
14
Issue
1
Pages
86-89
Date
2012
Publisher
ROYAL SOC CHEMISTRY
ISSN
1463-9076
Other identifier(s)
View record in Web of Science
Laboratories
LRM
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LRM - Laboratory of Magnetic Resonance
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date
2015-01-08