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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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Detalles Bibliográficos
Autores principales:	Lavagnini, Ennio, Cook, Joanne L., Warren, Patrick B., Williamson, Mark J., Hunter, Christopher A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7309324/ https://www.ncbi.nlm.nih.gov/pubmed/32510951 http://dx.doi.org/10.1021/acs.jpcb.0c01895

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