Self-consistent reaction field theory of solvent effects
- 1 June 1975
- journal article
- research article
- Published by Informa UK Limited in Molecular Physics
- Vol. 29 (6), 1653-1661
- https://doi.org/10.1080/00268977500101461
Abstract
A quantum-mechanical reaction field theory of solvent effects is proposed. It contains as a limiting case Onsager's model. It leads to an effective, non-linear, hamiltonian for the molecule in solution and hence to a tool for studying changes in charge distributions and molecular properties. Numerical examples are given.Keywords
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