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Coarse-Grained Simulations Using a Multipolar Force Field Model

This paper presents a coarse-grained molecular simulation for fullerenes based on a multipolar expansion method developed previously. The method is enabled by the construction of transferable united atoms potentials that approximate the full atomistic intermolecular interactions, as obtained from ab...

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Detalles Bibliográficos
Autores principales:	Chiu, Shuo-Feng, Chao, Sheng D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6120006/ https://www.ncbi.nlm.nih.gov/pubmed/30065228 http://dx.doi.org/10.3390/ma11081328

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