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Evaluating the Energetic Driving Force for Cocrystal Formation
[Image: see text] We present a periodic density functional theory study of the stability of 350 organic cocrystals relative to their pure single-component structures, the largest study of cocrystals yet performed with high-level computational methods. Our calculations demonstrate that cocrystals are...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5806084/ https://www.ncbi.nlm.nih.gov/pubmed/29445316 http://dx.doi.org/10.1021/acs.cgd.7b01375 |