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Charge Asymmetries in Hydration of Polar Solutes
We study the solvation of polar molecules in water. The center of water's dipole moment is offset from its steric center. In common water models, the Lennard-Jones center is closer to the negatively charged oxygen than to the positively charged hydrogens. This asymmetry of water's charge s...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2008
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2745216/ https://ncbi.nlm.nih.gov/pubmed/18251538 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp709958f |
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