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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 124, Issue 49, Pages 14721-14723Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja027708t
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The electron density of crystals contains all of the information required to complete a classification of their bonding types. We propose here a set of three different indexes, flatness, charge transfer, and molecularity, easily obtained from the experimental or theoretical electron density, which give rise to a classification in close resemblance to the classical van Arkel-Ketelaar diagrams.
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