نتایج جستجو برای: reaction progress
تعداد نتایج: 563462 فیلتر نتایج به سال:
In recent years, environmental pollution has become more serious, especially the organic pollutants. Metal frameworks (MOFs) are promising materials used to degrade pollutants recently. Among them, Materials Institute Lavoisier (MILs) have been widely engaged due their good stability and unique structural characteristics. This paper systematically analyses summarizes progress of MILs in degrada...
the use of colored semiconductor oxide like copper (ii) oxide and nickel (ii) oxide for photocatalytic bleaching of rose bengal was investigated in detail. in order to harness the solar energy, the effective wavelength of the photocatalyst is to be expanded into the visible region and that increases the rate of photocatalytic bleaching of the dye. progress of the reaction was observed spectroph...
An oxidative reaction for the synthesis of 4-alkyl-substituted dihydroisoquinolin-1(2H)-ones with N-allylbenzamide derivatives as starting materials has been developed. The radical alkylarylation reaction proceeds through a sequence of alkylation and intramolecular cyclization. The substituent on the C-C double bond was found to play a key role for the progress of the reaction to give the expec...
In this paper the equilibrium properties of the proline catalyzed aldol reaction was studied. The use of wellestablished methodologies, like reaction progress kinetic analysis and linear free energy relationship analysis, led to the quantification of the reaction reversibility and to its correlation with the substrate electronic activation. Due to these experimental observations, common computa...
Reaction coordinates are vital tools for qualitative and quantitative analysis of molecular processes. They provide a simple picture of reaction progress and essential input for calculations of free energies and rates. Iso-committor surfaces are considered the optimal reaction coordinate. We present an algorithm to compute efficiently a sequence of isocommittor surfaces. These surfaces are cons...
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