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Parameterization and optimization of the menthol force field for molecular dynamics simulations
Menthol’s various biological properties render it a useful component for medical and cosmetological applications, while its three centers of asymmetry mean that it can be used in a range of organic reactions. Menthol-substituted ionic liquids (ILs) have been found to exhibit promising antimicrobial...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5014899/ https://www.ncbi.nlm.nih.gov/pubmed/27604277 http://dx.doi.org/10.1007/s00894-016-3082-1 |