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Efficient and Accurate Methods for the Geometry Optimization of Water Clusters: Application of Analytic Gradients for the Two-Body:Many-Body QM:QM Fragmentation Method to n , n = 3-10 Desiree M. Bates, Joshua R. Smith, and Gregory S. Tschumper * Department of Chemistry and Biochemistry, University of Mississippi , University, Mississippi 38677, ...

Haining Liu , Larry A. Walker , and Robert J. Doerksen * Departments of Medicinal Chemistry and Pharmacology, and the National Center for Natural Products Research, School of Pharmacy, University of Mississippi , University, Mississippi 38677, United States DOI: 10.1021/tx200094v Publication Date : June 23, 2011 E-mail: rjd@olemiss.edu . Abstract ...