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Polarizable Empirical Force Field for Sulfur-Containing Compounds Based on the Classical Drude Oscillator Model
Condensed-phase computational studies of molecules using molecular mechanics approaches require the use of force fields to describe the energetics of the systems as a function of structure. The advantage of polarizable force fields over non-polarizable (or additive) models lies in their ability to v...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2010
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2923574/ https://ncbi.nlm.nih.gov/pubmed/20575015 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21527 |
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