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...

Descripción completa

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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6120006/
https://www.ncbi.nlm.nih.gov/pubmed/30065228
http://dx.doi.org/10.3390/ma11081328

Ejemplares similares