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Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

The question of whether intermolecular interactions in crystals originate from localized atom⋯atom interactions or as a result of holistic molecule⋯molecule close packing is a matter of continuing debate. In this context, the newly introduced Roby–Gould bond indices are reported for intermolecular ‘...

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Bibliographic Details
Published in:IUCrJ
Main Authors: Alhameedi, Khidhir, Karton, Amir, Jayatilaka, Dylan, Thomas, Sajesh P.
Format: Artigo
Language:Inglês
Published: International Union of Crystallography 2018
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6126646/
https://ncbi.nlm.nih.gov/pubmed/30224966
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252518010758
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