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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Polymers (Basel)
Egile Nagusiak: Fang, Chan-En, Tsai, Yi-Chen, Scheurer, Christoph, Chiu, Chi-Cheng
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: MDPI 2021
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC8037826/
https://ncbi.nlm.nih.gov/pubmed/33918188
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym13071131
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