Intermolecular potential function model for crystalline hexachlorobenzene

An intermolecular potential function model based on atom-atom interactions was developed for crystalline hexachlorobenzene. The potential was constructed from terms including Coulomb interaction, van der Waals attraction, and exponential repulsion. Potential energy parameters were varied to obtain t...

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Veröffentlicht in:The Journal of chemical physics 1974-03, Vol.60 (6), p.2414-2419
Hauptverfasser: Bates, J. B., Busing, W. R.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
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