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Lewis-inspired representation of dissociable water in clusters and Grotthuss chains
Proton transfer to and from water is critical to the function of water in many settings. However, it has been challenging to model. Here, we present proof-of-principle for an efficient yet robust model based on Lewis-inspired submolecular particles with interactions that deviate from Coulombic at sh...
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| 主要な著者: | , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer Netherlands
2011
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3285721/ https://ncbi.nlm.nih.gov/pubmed/23277669 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10867-011-9229-5 |
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