Articles with "quantum crystallographic" as a keyword



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A quantum crystallographic approach to short hydrogen bonds

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Published in 2021 at "Crystengcomm"

DOI: 10.1039/d1ce00355k

Abstract: In this work we use high-resolution synchrotron X-ray diffraction for electron density mapping, in conjunction with ab initio modelling, to study short O—H⋯O and O+—H⋯O− hydrogen bonds whose behaviour is known to be tuneable by… read more here.

Keywords: salt cocrystal; hydrogen; hydrogen bonds; cocrystal continuum ... See more keywords