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. 2021 Apr 14;26(8):2268. doi: 10.3390/molecules26082268

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© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Bond strength order BSO n of the HBs for the NBP $_{s}$ and UBP $_{s}$ as a function of the corresponding local stretching force constant $k^{a}$ as determined via Equation (6). Calculated at the $ω$ B97X-D/6-31++G(d,p) level of theory. For comparison the HB in the reference complexes are included.