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Communication: Modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions
We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
American Institute of Physics
2014
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4193973/ https://ncbi.nlm.nih.gov/pubmed/25296776 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4897324 |
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