Results 11 to 20 of about 43,577 (345)

Experimental and Theoretical Studies on the Kinetics and Mechanism of the C3H8/C3D8 + Cl Reaction [PDF]

open access: yesMolecules
An experimental and theoretical investigation of the reaction between chlorine atoms and propane/deuterated propane (C3H8/C3D8) was performed. The experimental work aimed to determine absolute and site-specific rate constants for hydrogen and deuterium ...
Łukasz Fojcik   +3 more
doaj   +2 more sources

Oxidation of norbornadiene: Theoretical investigation on H-atom abstraction and related radical decomposition reactions

open access: yesPropulsion and Power Research, 2023
The chemical kinetics of hydrogen atom (H-atom) abstraction reactions from norbornadiene (NBD) by five radicals (H, O(3P), OH, CH3, and HO2), and the unimolecular reactions of three NBD derived radicals, were studied through high-level ab-initio ...
Jintao Chen   +6 more
doaj   +1 more source

A comparison of hydrogen abstraction reaction between allyl-type monomers with thioxanthone-based photoinitiators without amine synergists

open access: yesFrontiers in Chemistry, 2022
The photodriven radical-mediated [3 + 2] cyclization reaction was found to yield polymers efficiently without being hindered by degradative chain transfer.
Xiaotian Zhao   +7 more
doaj   +1 more source

Photoinduced Ring Opening of Methyl 1-Aryl-5-oxo-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-2-carboxylates in the Presence of Diaryl Disulfides

open access: yesMolbank, 2023
Among the methods used for the synthesis of functionalized heterocyclic compounds, photochemistry has gained immense popularity due to the reactivity of intermediates in photoinduced reactions.
Nejc Petek, Uroš Grošelj
doaj   +1 more source

Synthesis, structure, and C–H bond activation reaction of an iron(IV) terminal imido complex bearing trifluoromethyl groups

open access: yesCell Reports Physical Science, 2021
Summary: Iron terminal imido species featuring electron-withdrawing N-substituents represent an important category of reactive metal-ligand-multiple-bond intermediates in iron-catalyzed reactions.
Qing Liu   +7 more
doaj   +1 more source

Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals

open access: yesGreen Chemistry Letters and Reviews, 2023
Global reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants.
Mohamed A. Abdel-Rahman   +3 more
doaj   +1 more source

Theoretical study of the addition and hydrogen abstraction reactions of the methyl radical with formaldehyde and hydroxymethylene [PDF]

open access: yesJournal of the Serbian Chemical Society, 2018
The mechanism, thermochemistry and kinetics of the addition and hydrogen-atom abstraction reactions of the methyl radical with formaldehyde and hydroxymethylene were investigated by ab initio calculations.
Nguyen Huu Tho, Nguyen Xuan Sang
doaj   +1 more source

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