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Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.04.010
Abstract: Abstract We report herein on the use of all-atom molecular dynamics simulations to investigate the solvation environment of C60 and four C60-derived fullerenes immersed in a variety of aromatic solvents. Utilizing a recently developed solvation…
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Keywords:
solvation;
dynamic structure;
chemistry;
effect adducts ... See more keywords