Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 136, Issue 3, Pages 190-193Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molliq.2007.08.010
Keywords
solute-solvent interaction; RISM-SCF method; electrostatic interaction
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Within the framework of RISM-SCF theory, a few coupling between solute and solvent molecules are examined. We report the performance of Mulliken-type and dual-type methods in addition to the conventional method. The interaction by the dual-type is moderate relative to the other two methods and the dual-type is useful to understand the solvation effect qualitatively. (c) 2007 Elsevier B.V. All rights reserved.
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