https://www.selleckchem.com/pr....oducts/deutenzalutam
We evaluate the correlation between binding energy (BE) and electron density ρ(r) at the bond critical point for 28 neutral hydrogen bonds, recently reported by Emamian and co-workers (J. Comput. Chem., 2019, 40, 2868). As an efficient tool, we use local stretching force constant k HB a derived from the local vibrational mode theory of Konkoli and Cremer. We compare the physical nature of BE versus k HB a , and provide an important explanation for cases with significant deviation in the BE- k HB a relation as well as in the BE-
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