A discrete solvent reaction field model within density functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1527010
Reference72 articles.
1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
2. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
3. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
4. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
5. On the quantum mechanical treatment of solvent effects
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