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Environmental Science and Technology, 2021
We developed a web application structured in a machine learning and molecular fingerprint algorithm for the automatic calculation of the reaction rate constant of the oxidative processes of organic pollutants by •OH and SO4•- radicals in the aqueous ...
F. Sanches-Neto +3 more
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We developed a web application structured in a machine learning and molecular fingerprint algorithm for the automatic calculation of the reaction rate constant of the oxidative processes of organic pollutants by •OH and SO4•- radicals in the aqueous ...
F. Sanches-Neto +3 more
semanticscholar +1 more source
Rate constants for silylene reactions
Research on Chemical Intermediates, 1990It is only since 1985 that the absolute rate constanss have been measured for some reactions of divalent silylene species. In this article the absolute rate constant data reported to date for the reactions of SiH2, SiMe2, SiMePh, SiHCl, SiCl2, SiF2 and SiBr2 are reviewed and, where possible, mechanistic pathways discussed.
I. Safarik +4 more
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On reaction rate constants and rate kernels
Chemical Physics Letters, 1978Abstract A simple model for a reversible isomerization reaction A ⇋ B is used to show how rate constants and their time-dependent generalizations can be related to microscopic reactive steps and nonreactive internal dynamics (e.g., vibrational relaxation).
Scott H. Northrup, James T. Hynes
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Rate Constants for Anilidyl Radical Cyclization Reactions
The Journal of Organic Chemistry, 2005[reaction: see text] N-Aryl-5,5-diphenyl-4-pentenamidyl radicals (3) were produced by 266 nm laser-flash photolysis of the corresponding N-(phenylthio) derivatives, and the rate constants for the cyclizations of these radicals were measured directly. The 5-exo cyclization reactions were fast (k(c) > 2 x 10(5) s(-1)), and radicals 3 generally behaved as
E, Martinez, M, Newcomb
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Reaction rate constant of methane clathrate formation
Fuel, 2010Abstract Particle size distribution measurements were performed during the growth stage of methane hydrate formation in a semi-batch stirred tank crystallizer. Experiments were carried out at temperatures between 275.1 and 279.2 K and pressures ranging from 3873 to 5593 kPa. The reaction rate constant of methane hydrate formation was determined using
S. Bergeron, Juan G. Beltran, P. Servio
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Absolute Rate Constants for Iminyl Radical Reactions
The Journal of Organic Chemistry, 1997The kinetics of cyclization of the 2-methyl-6,6-diphenyl-5-hexeniminyl radical (3) were measured by laser flash photolysis methods from 0 to 50 degrees C, and the kinetics of trapping of radical 3 by thiophenol and p-chlorothiophenol were determined between 4 and 83 degrees C by indirect methods using the unimolecular rate constants as the basis values.
Marie-Helene, Le Tadic-Biadatti +5 more
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Rate constants for aminyl radical reactions
Tetrahedron Letters, 1993Abstract Rate constants for cyclization of the N -methyl-5,5-diphenyl-4-pentenaminyl radical ( 4 ) and for reaction of this radical with t -BuSH were determined by direct methods.
Martin Newcomb +2 more
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Reaction rate constant of propane hydrate formation
Fluid Phase Equilibria, 2008Abstract Experimental data on the rate of formation of propane hydrates were obtained using a particle size analyzer capable of detecting particles with diameters as small as 0.6 nm, while operating in a closed loop system. Experiments were carried out at temperatures around 274 K and pressures between 315 and 340 kPa in a semi-batch stirred tank ...
S. Bergeron, P. Servio
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Absolute Rate Constants for α-Amide Radical Reactions
The Journal of Organic Chemistry, 1998The 1-(diethylcarbamoyl)-6,6-diphenyl-5-hexenyl radical (4a), the 1-(diethylcarbamoyl)-7,7-diphenyl-6-heptenyl radical (4b), and the 1-(diethylcarbamoyl)-1-methyl-6,6-diphenyl-5-hexenyl radical (4c) were produced from the corresponding PTOC esters (anhydrides of the carboxylic acid and N-hydroxypyridine-2-thione) by laser flash photolysis methods.
Osama M., Musa +3 more
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Determination of Rate Constants for Rapid Peroxidase Reactions
Analytical Biochemistry, 1995We describe an improved enzyme-monitored stopped-flow method for determining rate constants for peroxidase reactions that are too rapid to measure by conventional pseudo-first-order methods. Ascorbate will reduce many substrate radicals as rapidly as they are generated by a peroxidase.
D C, Goodwin +3 more
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