Beilstein J. Nanotechnol.2017,8, 667–674, doi:10.3762/bjnano.8.71
understanding dynamic processes of organic molecules on insulating substrates.
Keywords: entropy; free energy; molecular dynamics; organic molecules; potential of mean force; thermodynamicintegrationsurfacestep; Introduction
In recent years molecular films and self-assembled monolayers have attracted a lot
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Figure 1:
Lowest-energy adsorption geometries of a CDB and a TCB molecule at a monatomic KCl step edge. Colou...