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Sulfur Radicals as Tethers for the Adsorption of Aromatic Molecules on Silicon Surface
(AMER SCIENTIFIC PUBLISHERSVALENCIA, 2012)
In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of benzenethiol and diphenyl disulfide ...
Representing structures of organic molecules
(Khan Academy, 2013)
Representing structures of organic molecules
(Khan Academy, 2016)
Association Models for Binding of Molecules to Nanostructures
(Royal Society of Chemistry, 2017-06)
The interaction between nanoparticles and molecules plays a key role in determining the activity and performance of a given nanostructure. These interactions are pivotal for a variety of applications including drug delivery, ...
Footprint organization of chiral molecules on metallic surfaces
(Elsevier Science, 2007-10)
We study the behavior of chiral molecules adsorbed on clean metallic surfaces using a lattice-gas model and Monte Carlo simulation. The aim is to model and simulate the structure (footprints and organization) formed by ...
Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties
(Academic Press Inc Elsevier Science, 2015-10)
This contribution discusses the intercalation of imidazole and its 2-ethyl derivative, and pyridine in 2D copper nitroprusside. In the interlayer region, neighboring molecules remain interacting throu gh their dipole and ...