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Hybrid Atomistic and Coarse-Grained Model for Surfactants in Apolar Solvents
[Image: see text] Here, we develop and verify the performance of a hybrid molecular modeling approach that combines coarse-grained apolar solvent and atomistic solute or polar solvent description, for example, for description of reverse micellar systems. The coarse-grained solvent model is directly...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6761742/ https://www.ncbi.nlm.nih.gov/pubmed/31572859 http://dx.doi.org/10.1021/acsomega.9b01959 |