Development of AMBER-compliant transferable force field parameters for polytetrafluoroethylene
New transferable parameters for polytetrafluoroethylene (PTFE) compatible with the Assisted Model Building with Energy Refinement (AMBER) force field were developed by including many conformational states to improve accuracy. The Austin–Frisch–Petersson functional with dispersion hybrid density func...
Sábháilte in:
| Príomhchruthaitheoirí: | , , |
|---|---|
| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe / Cruthaithe: |
De Gruyter
2024-08-01
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| Sraith: | Open Chemistry |
| Ábhair: | |
| Rochtain ar líne: | https://doi.org/10.1515/chem-2024-0072 |
| Clibeanna: |
Níl clibeanna ann, Bí ar an gcéad duine le clib a chur leis an taifead seo!
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