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Mostrando ítems 11-20 de 19505
Research note on power-series expression of mass concentration profile in nonlinear diffusion-reaction processes
(Praise Worthy Prize, 2011-11)
In this paper, a steady state one-dimensional diffusion-reaction process is considered. As a descriptive mathematical model for such processes, a high nonlinear boundary value problem (BVP) for a second order ordinary ...
Substitution Effects in Aryl Halides and Amides into the Reaction Mechanism of Ullmann-Type Coupling Reactions
(2024)
In this article, we present a comprehensive computational investigation into the reaction mechanism of N-arylation of substituted aryl halides through Ullmann-type coupling reactions. Our computational findings, obtained ...
Synthetic silica nano-organelles for regulation of cascade reactions in multi-compartmentalized systems
(Wiley VCH Verlag, 2022-02)
In eukaryotic cells, enzymes are compartmentalized into specific organelles so that different reactions and processes can be performed efficiently and with a high degree of control. In this work, we show that these features ...
Mechanism for the SNAr reaction of atrazine with endogenous thiols: experimental and theoretical study
(Royal Society of Chemistry, 2017)
Reaction mechanism in aromatic nucleophilic substitution reactions is discussed using kinetic study
complemented with quantum chemical calculations. The model system is the reaction of a series of
biothiols toward atrazine ...
Activation energy for the reverse eutectoid reaction in hypo-eutectoid Cu-Al alloys
(Elsevier B.V., 2012-03-10)
The values of the activation energy for the reverse eutectoid reaction (alpha + gamma(1)) -> beta in the Cu-9 wt.%Al, Cu-10 wt.%Al and Cu-11 wt.%Al alloys were obtained using nonisothermal methods and considering two ...
Mechanism for the SNAr reaction of atrazine with endogenous thiols: experimental and theoretical study
(Royal Society of Chemistry, 2017)
Reaction mechanism in aromatic nucleophilic substitution reactions is discussed using kinetic study
complemented with quantum chemical calculations. The model system is the reaction of a series of
biothiols toward atrazine ...
Activation energy for the reverse eutectoid reaction in hypo-eutectoid Cu-Al alloys
(Elsevier B.V., 2012-03-10)
The values of the activation energy for the reverse eutectoid reaction (alpha + gamma(1)) -> beta in the Cu-9 wt.%Al, Cu-10 wt.%Al and Cu-11 wt.%Al alloys were obtained using nonisothermal methods and considering two ...
Reactivity indices profile: a companion tool of the potential energy surface for the analysis of reaction mechanisms. Nucleophilic aromatic substitution reactions as test case
(American Chemical Society, 2013)
We herein report on the usefulness of the reactivity indices
profiles along a reaction coordinate. The model is tested to fully describe
the reaction mechanism of the title reactions. Group nucleophilicity and
electrophilicity ...
Reactivity indices profile: a companion tool of the potential energy surface for the analysis of reaction mechanisms. Nucleophilic aromatic substitution reactions as test case
(American Chemical Society, 2013)
We herein report on the usefulness of the reactivity indices
profiles along a reaction coordinate. The model is tested to fully describe
the reaction mechanism of the title reactions. Group nucleophilicity and
electrophilicity ...