Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states

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Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states

The potential energy surfaces of the van der Waals complexes benzene–Ar and p-difluorobenzene–Ar have been investigated at the second-order Møller–Plesset (MP2) level of theory with the aug-cc-pVDZ basis set. Calculations were performed with unconstrained geometry optimization for all stationary poi...

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Bibliographic Details
Main Authors:	Moulds, R., Buntine, Mark, Lawrance, W.
Format:	Journal Article
Published:	American Institute of Physics 2004
Subjects:	Fluorescence Der-Waals complexes Fluorobenzene Spectrum Dissociation-energy Ionization Dynamics Dipole-moment Argon Vanderwaals complex
Online Access:	http://hdl.handle.net/20.500.11937/26042

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