Article ID Journal Published Year Pages File Type
6310412 Chemosphere 2013 6 Pages PDF
Abstract
► The interactions of LOAs with C60 are simulated by molecular dynamics. ► The interactions of LOAs with C60 in aqueous and gaseous phase were considered. ► The interactions between both neutral and ionic LOAs with C60 were simulated. ► Models were built to predict and interpret the interactions of LOAs with C60.
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Life Sciences Environmental Science Environmental Chemistry
Preview
Molecular dynamics simulations on the interactions of low molecular weight natural organic acids with C60
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