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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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Bibliografski detalji
Izdano u:J Mol Model
Glavni autori: Jasik, Mateusz, Szefczyk, Borys
Format: Artigo
Jezik:Inglês
Izdano: Springer Berlin Heidelberg 2016
Teme:
Online pristup: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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