Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K

Published 2017 View Full Article

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Title
Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 1, Pages 377-394
Publisher
American Chemical Society (ACS)
Online
2017-11-29
DOI
10.1021/acs.jctc.7b00991

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