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A Surface Site Interaction Point Method for Dissipative Particle Dynamics Parametrization: Application to Alkyl Ethoxylate Surfactant Self-Assembly
[Image: see text] Dissipative particle dynamics (DPD) is a coarse-grained approach to the simulation of large supramolecular systems, but one limitation has been that the parameters required to describe the noncovalent interactions between beads are not readily accessible. A first-principles computa...
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| Publicado no: | J Phys Chem B |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2020
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7309324/ https://ncbi.nlm.nih.gov/pubmed/32510951 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.0c01895 |
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