most citedExplicit treatment of hydrogen bonds in the Universal Force Field: validation and application for Metal-Organic Frameworks, hydrates and host-guest complexes

17 citations · 17 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2017★ 17 cited

Explicit treatment of hydrogen bonds in the Universal Force Field: validation and application for Metal-Organic Frameworks, hydrates and host-guest complexes

Damien E. Coupry, Matthew A. Addicoat, Thomas Heine

A straightforward means to include explicit hydrogen bonds within the Universal Force Field is presented. Instead of treating hydrogen bonds as non-bonded interaction subjected to…