Further evaluation of the shape of atomic Hirshfeld surfaces: M…H contacts and homoatomic bonds

It is well known that Hirshfeld surfaces provide an easy and straightforward way of analysing intermolecular interactions in the crystal environment. The use of atomic Hirshfeld surfaces has also demonstrated that such surfaces carry information related to chemical bonds which allow a deeper evaluat...

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Veröffentlicht in:	Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2024-09, Vol.80 (9), p.478-486
Hauptverfasser:	Pinto, Camila B., Dos Santos, Leonardo H. R., Rodrigues, Bernardo L.
Format:	Artikel
Sprache:	eng
Schlagworte:	chemical bond Chemical bonds Cobalt crystal structure Curvature curvature properties curvedness Directional sensitivity Flat surfaces Hirshfeld surfaces Information retrieval interatomic surfaces Manganese Nickel shape index
Online-Zugang:	Volltext
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