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...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
American Institute of Physics
2004
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/26042 |