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The Structure, Thermodynamics and Solubility of Organic Crystals from Simulation with a Polarizable Force Field
An important unsolved problem in materials science is prediction of the thermodynamic stability of organic crystals and their solubility from first principles. Solubility can be defined as the saturating concentration of a molecule within a liquid solvent, where the physical picture is of solvated m...
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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: |
2012
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3348590/ https://ncbi.nlm.nih.gov/pubmed/22582032 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300035u |
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