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Intermolecular potentials for the water-benzene and the benzene-benzene systems calculated in an ab initio SCFCI approximation

✍ Scribed by Karlstroem, G.; Linse, P.; Wallqvist, A.; Joensson, B.


Book ID
119945792
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
661 KB
Volume
105
Category
Article
ISSN
0002-7863

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The benzene ... Ar, cluster was studied by constant energy molecular dynamics simulations using the ab initio intermolecular potential for the benzene ... Ar interaction. The relative population of the energetically less favorable one-sided structure was found to be higher that the population of th