Intermolecular Potential Calculations for Polynuclear Aromatic Hydrocarbon Clusters

Calculations of intermolecular potentials are presented for homo-molecular and hetero-molecular clusters of 24 peri-condensed PAH spanning monomer masses ranging from 78 to 1830 Da. Binding energies of homo-molecular dimers rise rapidly with molecular size and asymptotically approach the experimenta...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2008-07, Vol.112 (28), p.6249-6256
Hauptverfasser:	Herdman, Jennifer D, Miller, J. Houston
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Dynamics, Clusters, Excited States
Online-Zugang:	Volltext
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