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Chemicals, plastics and rubber industries

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Study of oscillations and pattern formation in the NO + CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: Toward a realistic model

Article Abstract:

Oscillations and pattern formation driven by a surface reconstruction were studied for the catalytic reduction of NO by Co on Pt(100) single-crystal surfaces through dynamic Monte Carlo simulation at low pressure and relatively high temperatures conditions. The analysis showed sustained, modulated, irregular, and damped oscillations as well as the formation of cellular structures and turbulent patterns.

Author: Alas, S.J., Zgrablich, G.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Carbon Monoxide, Analysis, Monte Carlo method, Monte Carlo methods, Oscillation, Oscillations

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Dynamics of the nitroxide side chain in spin-labeled proteins

Article Abstract:

A study of the dynamics of the tether linking methanethiosulfonate (MTSSL) spin probes to [alpha]-helices is done to minimize its effect of ESR line shapes. The calculations of the torsional fluctuations are described as damped oscillations while transition rates between conformers are computed as per the Langer multidimensional extension of the Kramers theory.

Author: Freed, Jack H., Ferrarini, Alberta, Tombolato, Fabio
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Methane, Torsion, Optical properties

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Subjects list: Nitrogen oxides, Nitrogen oxide, Properties, Structure
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