A first-principles description of proton-driven spin diffusion.
نویسندگان
چکیده
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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عنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 14 1 شماره
صفحات -
تاریخ انتشار 2012