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Continuum Polarizable Force Field within the Poisson-Boltzmann Framework
We have developed and tested a complete set of nonbonded parameters for a continuum polarizable force field. Our analysis shows that the new continuum polarizable model is consistent with B3LYP/cc-pVTZ in modeling electronic response upon variation of dielectric environment. Comparison with experime...
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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: |
2008
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2495006/ https://ncbi.nlm.nih.gov/pubmed/18507452 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp7110988 |
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