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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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| Main Authors: | , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | 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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