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Pure Appl. Chem., 2004, Vol. 76, No. 1, pp. 29-35

http://dx.doi.org/10.1351/pac200476010029

"Morphing" of ab initio-based interaction potentials to spectroscopic accuracy: Application to Cl-(H2O)

J. M. Bowman and S. S. Xantheas

Cherry L.Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, GA 30322, USA; Chemical Sciences Division, Pacific Northwest National Laboratory, P.O.Box 999, MS K1-83, Richland, WA 99352, USA

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