Explicit treatment of hydrogen bonds in the universal force...

Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexes

Coupry, Damien E., Addicoat, Matthew A., Heine, Thomas
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Volume:
147
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4985196
Date:
October, 2017
File:
PDF, 1.73 MB
english, 2017
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