Browsing Academic by Subject "Molecular Dynamics Simulation"
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Theoretical study on the solvation of C60 fullerene by ionic liquids
( American Chemical Society , 2014 , Article)The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazinium, and cholinium families was analyzed from a nanoscopic viewpoint using classic molecular dynamics simulations and ...