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research article

A first-principles description of proton-driven spin diffusion

Dumez, Jean-Nicolas
•
Halse, Meghan E.
•
Butler, Mark C.
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2012
Physical Chemistry Chemical Physics

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.

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Type
research article
DOI
10.1039/c1cp22662b
Web of Science ID

WOS:000297593800008

Author(s)
Dumez, Jean-Nicolas
Halse, Meghan E.
Butler, Mark C.
Emsley, Lyndon  
Date Issued

2012

Publisher

ROYAL SOC CHEMISTRY

Published in
Physical Chemistry Chemical Physics
Volume

14

Issue

1

Start page

86

End page

89

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LRM  
Available on Infoscience
January 8, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/109999
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