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Polarizable Empirical Force Field for Acyclic Poly-Alcohols Based on the Classical Drude Oscillator
A polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator is presented. The model is optimized with an emphasis on the transferability of the developed parameters among molecules of different sizes in this series and on the condensed-phase properties valida...
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| Huvudupphovsmän: | , , |
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| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
2013
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3902549/ https://ncbi.nlm.nih.gov/pubmed/23703219 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/bip.22286 |
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