Disentanglement of orthogonal hydrogen and halogen bonds via natural orbital for chemical valence: A charge displacement analysis
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DOI: 10.1002/jcc.26165
Abstract: As known, the electron density of covalently bound halogen atoms is anisotropically distributed, making them potentially able to establish many weak interactions, acting at the same time as halogen bond donors and hydrogen bond acceptors.… read more here.
Keywords: displacement analysis; analysis; orbital chemical; charge displacement ... See more keywords