ArticleThe journal of physical chemistry. B2009
Computing ion solvation free energies using the dipolar Poisson model.
Article in The journal of physical chemistry. B, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Understanding the solubilization of Ca acetylide with a new computational model for ionic pairs.Chemical science · 2020Article
- Understanding nucleic acid-ion interactions.Annual review of biochemistry · 2014Review
- Gradient Models in Molecular Biophysics: Progress, Challenges, Opportunities.Journal of the mechanical behavior of materials · 2013Article
- Article
- AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.The Journal of chemical physics · 2010Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
A new continuum model is presented for computing the solvation free energies of cations in water. It combines in a single formalism based on statistical thermodynamics the Poisson model for electrostatics with the Langevin dipole model to account for nonuniform water dipole distribution around the ions. An excellent match between experimental and computed solvation free energies is obtained for 10 monovalent and divalent ions.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.