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The Benzene−Argon Ground-State Intermolecular Potential Energy Surface Revisited

✍ Scribed by Capelo, Silvia Bouzón; Fernández, Berta; Koch, Henrik; Felker, Peter M.


Book ID
111896688
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
129 KB
Volume
113
Category
Article
ISSN
1089-5639

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At the correlation-consistent polarized-valence quadruple-zeta complete active space self-consistent field second-order configuration interaction level of ab initio theory (cc-pVQZ CASSCF-SOCI), we calculated 129 points on the ground electronic state potential energy surface of the water dication H(