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Mostrando ítems 31-40 de 19505
On the catalytic effect of water in the intramolecular diels-alder reaction of quinone systems: A theoretical study
(2012)
The mechanism of the intramolecular Diels-Alder (IMDA) reaction of benzoquinone 1, in the absence and in the presence of three water molecules, 1w, has been studied by means of density functional theory (DFT) methods, using ...
The reactivity and reaction pathway of Fenton reactions driven by substituted 1,2- dihydroxybenzenes
(2017)
Fenton systems are interesting alternatives to advanced oxidation processes (AOPs) applied in soil or water remediation. 1,2-Dihydroxybenzenes (1,2-DHBs) are able to amplify the reactivity of Fenton systems and have been ...
Predicting the reaction mechanism of nucleophilic substitutions at carbonyl and thiocarbonyl centres of esters and thioesters
(John Wiley & Sons, 2012)
In nucleophilic substitution reactions at carbonyl centres, there are two possible channels. The first one occurs when the attack of nucleophilic agents takes place simultaneously with the departure of the nucleofuge. This ...
A Variational Approach to the Control of Electrochemical Hydrogen Reactions
(Elsevier, 2005-12)
The optimal control problem for the hydrogen evolution reaction (HER) system is posed for different cost objectives and admissible control strategies. The solution for the set-point-change process is given in analytical ...
Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction
(Amer Chemical SocWashingtonEUA, 2005)
Design and synthesis of angucyclinone 5-aza analogues
(GEORG THIEME VERLAG KG, 2006)
A highly efficient one-pot procedure for the synthesis of phenanthridine-1,7,10-triones from acylbenzoquinones and cyclic enaminones is reported. The cycloaddition reactions of these quinones with 1-trimethylsilyloxybutadiene ...
Search for reaction pathways with P graphs and reaction blocks: methanation of carbon dioxide with hydrogen
(Springer, 2018)
The effects of carbon dioxide in the atmosphere can be reduced by closing anthropogenic cycles, and the methanation of carbon dioxide with hydrogen provides a promising option. Nevertheless, the reaction mechanism of this ...
Search for reaction pathways with P-graphs and reaction blocks: methanation of carbon dioxide with hydrogen
(Springer International Publishing, 2018)
The effects of carbon dioxide in the atmosphere can be reduced by closing
anthropogenic cycles, and the methanation of carbon dioxide with hydrogen provides
a promising option. Nevertheless, the reaction mechanism of ...
Reaction processes among self-propelled particles
(Royal Society of Chemistry, 2018-12-12)
We study a system of self-propelled disks that perform run-and-tumble motion, where particles can adopt more than one internal state. One of those internal states can be transmitted to other particle if the particle carrying ...