The dielectric continuum solvent model adapted for treating preferential solvation effects
β Scribed by M.V. Basilevsky; A.V. Odinokov; E.A. Nikitina; N.Ch. Petrov
- Book ID
- 119294429
- Publisher
- Elsevier
- Year
- 2011
- Tongue
- English
- Weight
- 438 KB
- Volume
- 660
- Category
- Article
- ISSN
- 1572-6657
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π SIMILAR VOLUMES
This article tests a dielectric model for the variation of hydration free energy with the geometry of complex solutes in water. It reexpresses the Poisson equation of the model to examine the basic aspects of boundary integral methods for these problems. It compares eight examples of dielectric mode
We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a continuum description of the solvent. The model is called SMD, where the "D" stands for "density" to denote that the full solute electron density is used without defining