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Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants
[Image: see text] Predicting the nonideal phase behavior of binary and multicomponent systems remains a significant challenge for particle-based simulations. Here, we develop a transferable force field for chloroethenes, common environmental contaminants, that can accurately model the vapor liquid p...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641527/ https://www.ncbi.nlm.nih.gov/pubmed/31458615 http://dx.doi.org/10.1021/acsomega.8b00044 |