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Journal of Chemical Theory and Computation 2019 / 08

Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation

McKinley, Jessica Lynee, Beran, Gregory J.O.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00481
Date:
August, 2019
File:
PDF, 592 KB
english, 2019
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