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How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure

The hydrophobic hydration of fullerenes in water is of significant interest as the most common Buckminsterfullerene (C(60)) is a mesoscale sphere; C(60) also has potential in pharmaceutical and nanomaterial applications. We use an all-atom molecular dynamics simulation lasting hundreds of nanosecond...

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Main Authors: Weiss, Dahlia R., Raschke, Tanya M., Levitt, Michael
格式: Artigo
語言:Inglês
出版: 2008
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2692030/
https://ncbi.nlm.nih.gov/pubmed/18275178
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp076416h
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