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research article

Ab initio simulation of proton spin diffusion

Dumez, Jean-Nicolas
•
Butler, Mark C.
•
Salager, Elodie
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2010
Physical Chemistry Chemical Physics

The many-body nature of the ubiquitous spin diffusion phenomenon makes it difficult to predict accurately from first principles. We show how the use of reduced Liouville spaces makes it possible to reproduce experimental proton spin diffusion measurements directly from crystalline geometry for powdered solids under magic-angle spinning.

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