Thread: Journal Highlight: Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13C-13C dipolar couplings
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Unread 03-24-2019, 10:41 PM
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Default Journal Highlight: Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13C-13C dipolar couplings
Journal Highlight: Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13C-13C dipolar couplings

13C-13C Dipolar couplings quantified on powdered theophylline at natural isotopic abundance have been used with the help of dynamic nuclear polarisation to carry out DFT-free, rapid screening of a pool of structures predicted by AIRSS.

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