article
Self-consistent reaction field theory of solvent effects
Molecular Physics · 1975 · Vol. 29(6) · pp. 1653–1661
O. Tapia✉(Uppsala University)Osvaldo Goscinski(Uppsala University)
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.
Spectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesHemoglobin structure and functionLimitingHamiltonian (control theory)Solvent effectsQuantumSolventMoleculeField (mathematics)Computational chemistryCharge (physics)Chemical physics
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539
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2.41
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References
Theory of Electric Polarization
Journal of The Electrochemical Society · 1974 · 3,369 citations
Electric Moments of Molecules in Liquids
Journal of the American Chemical Society · 1936 · 5,268 citations
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