Revised Atomic Charges for OPLS Force Field Model of Poly(Ethylene Oxide): Benchmarks and Applications in Polymer Electrolyte

Poly(ethylene oxide) (PEO)-based polymers are common hosts in solid polymer electrolytes (SPEs) for high-power energy devices. Molecular simulations have provided valuable molecular insights into structures and ion transport mechanisms of PEO-based SPEs. The calculation of thermodynamic and kinetic...

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Detalles Bibliográficos
Autores principales: Fang, Chan-En, Tsai, Yi-Chen, Scheurer, Christoph, Chiu, Chi-Cheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8037826/
https://www.ncbi.nlm.nih.gov/pubmed/33918188
http://dx.doi.org/10.3390/polym13071131

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8037826/
https://www.ncbi.nlm.nih.gov/pubmed/33918188
http://dx.doi.org/10.3390/polym13071131

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