Computational studies on polymer adhesion at the surface of [gamma]-Al2O3. I. The adsorption of adhesive component molecules from the gas phase
Article Abstract:
A study on the interaction of the adhesive components with surface hydroxyl groups, which results in a condensation reaction for the adsorption of diethyltriamine (DETA) is conducted. Results reveal that the chosen combination of methods is well suited to obtain an overview of the reaction mechanism and kinetics of the adsorption of the organic molecules on inorganic surfaces.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Charge transfer through a protein-nano junction
Article Abstract:
The problem of charge transfer (CT) between a nanosized inorganic system and a protein is explained from a theoretical and numerical perspective. A novel efficient protein CT mechanism is described and the predicted rates are comparable to those obtained for short-range electron tunneling through covalent bonds, the fastest ground-state CT process known for proteins.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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