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Updated: Aug 23, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
The ordered water cluster in vitamin B12 coenzyme at 15 K is stabilized by C-H...O hydrogen bonds
Abstract:
The hydrogen-bonding interactions of the ordered water cluster in the pocket region of vitamin B(12) coenzyme at 15 K are analyzed from published atomic coordinates. Several of these water molecules accept C-H.O hydrogen bonds from the pocket wall, most of which have the function to complete tetrahedral hydrogen-bond coordination. This is the largest water assembly for which the stabilizing function of C-H.O interactions has been described.
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