Articles with "holes buildups" as a keyword



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σ-Holes vs. Buildups of Electronic Density on the Extensions of Bonds to Halogen Atoms

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Published in 2019 at "Inorganics"

DOI: 10.3390/inorganics7060071

Abstract: Our discussion focuses upon three possible features that a bonded halogen atom may exhibit on its outer side, on the extension of the bond. These are (1) a region of lower electronic density (a σ-hole)… read more here.

Keywords: holes buildups; electrostatic potential; density; electronic density ... See more keywords