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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...
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| Udgivet i: | J Mol Model |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer Berlin Heidelberg
2016
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5014899/ https://ncbi.nlm.nih.gov/pubmed/27604277 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-016-3082-1 |
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