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Ab initio study for the intermolecular interaction potential surface of Ar-N2 complex

✍ Scribed by J. Zhu; Y.-P. Lu; X.-R. Chen; Y. Cheng


Book ID
111627686
Publisher
Springer
Year
2005
Tongue
English
Weight
132 KB
Volume
33
Category
Article
ISSN
1434-6060

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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