Influence of the solvent on the stability of bis(terpyridine) structures on graphite

The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations. As a model system, the solvation of a bis(terpyridine) isomer in water and 1,2,4-trichlorobenzene was studied with an explicit solvation...

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Bibliographic Details
Main Authors: Daniela Künzel, Axel Groß
Format: Article
Language:English
Published: Beilstein-Institut 2013-04-01
Series:Beilstein Journal of Nanotechnology
Subjects:
Online Access:https://doi.org/10.3762/bjnano.4.29