On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms

In this paper, we present a detailed energetic decomposition of intramolecular O···X interactions (X being O, S, or a halogen atom) based on the interacting quantum atoms approach of Pendás and co-workers. The nature of these interactions (repulsive or attractive, more or less electrostatic) is disc...

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Veröffentlicht in:	The Journal of chemical physics 2013-01, Vol.138 (2), p.024102-024102
Hauptverfasser:	Tognetti, Vincent, Joubert, Laurent
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Organic chemistry
Online-Zugang:	Volltext
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