Theoretical study on the mechanism and kinetics of the reaction of 2,2′,4,4′-tetrabrominated diphenyl ether (BDE-47) with OH radicals (original) (raw)
Mechanism and kinetics of the n-propyl bromide and OH reaction using integrated ab initio methods and variational transition-state theory
Jose Carlos Corchado
Journal of Molecular Structure: THEOCHEM, 2004
View PDFchevron_right
Reaction of Phenols with the 2,2-Diphenyl-1-picrylhydrazyl Radical. Kinetics and DFT Calculations Applied To Determine ArO-H Bond Dissociation Enthalpies and Reaction Mechanism
Carmelo Daquino, Mario Foti
The Journal of Organic Chemistry, 2008
View PDFchevron_right
Reaction kinetics of a series of alkenes with ClO and BrO radicals: A theoretical study
Parth Gupta
International Journal of Chemical Kinetics, 2020
View PDFchevron_right
Comment on “Important role of reaction field in photodegradation of deca-bromodiphenyl ether: Theoretical and experimental investigations of solvent effects” by Q. Xie, J. Chen, J. Shao, C. Chen, H. Zhao, C. Hao [Chemosphere 76(11) (2009) 1486–1490]
Kaya Forest, Sierra Rayne
Chemosphere, 2010
View PDFchevron_right
Spectroscopic and Computational Studies of the Laser Photolysis of Matrix Isolated 1,2-Dibromoethanes: Formation and Fate of the Bromoethyl Radicals †
Scott Reid
The Journal of Physical Chemistry A, 2010
View PDFchevron_right
Important role of reaction field in photodegradation of deca-bromodiphenyl ether: Theoretical and experimental investigations of solvent effects
Chang'er Chen
Chemosphere, 2009
View PDFchevron_right
Hydrogen Abstraction Reaction of Hydroxyl Radical with 1,1-Dibromoethane and 1,2-Dibromoethane Studied by Using Semi-Classical Transition State Theory
Mohammad Solimannejad
Physical Chemistry Research, 2014
View PDFchevron_right
A DFT study on the mechanism and kinetics of reactions of pterostilbene with hydroxyl and hydroperoxyl radicals
Andrés Oswaldo Garzón Ramos.
Computational and Theoretical Chemistry, 2016
View PDFchevron_right
Quantum Chemical and Kinetic Study of Formation of 2-Chlorophenoxy Radical from 2-Chlorophenol: Unimolecular Decomposition and Bimolecular Reactions with H, OH, Cl, and O 2
Bogdan Dlugogorski
The Journal of Physical Chemistry A, 2008
View PDFchevron_right
Kinetic study of the OH-initiated photo-oxidation of four unsaturated (allyl and vinyl) ethers under simulated atmospheric conditions
pablo cometto
Atmospheric Environment, 2011
View PDFchevron_right
Mechanism and Branching Ratios of Hydroxy Ethers + • OH Gas phase Reactions: Relevance of H Bond Interactions
J. Alvarez-idaboy
The Journal of Physical Chemistry A, 2010
View PDFchevron_right
A theoretic study of halomethanes hydrogen atom transfer reactions by methyl radicals
Adriana Olleta
Journal of Molecular Structure Theochem, 2000
View PDFchevron_right
Kinetic Study of CH 3 + HBr and CH 3 + Br Reactions by Laser Photolysis−Transient Absorption over 1−100 Bar Pressure Range
Lev Krasnoperov
Journal of Physical Chemistry A, 1999
View PDFchevron_right
Kinetic and mechanistic study of the reaction of OH radicals with methylated benzenes: 1,4-dimethyl-, 1,3,5-trimethyl-, 1,2,4,5-, 1,2,3,5- and 1,2,3,4-tetramethyl-, pentamethyl-, and hexamethylbenzene
Cornelius Zetzsch
Physical chemistry chemical physics : PCCP, 2015
View PDFchevron_right
Theoretical Study of the Rate Constants and Kinetic Isotope Effects of the 1,2-Hydrogen-Atom Shift of Methoxyl and Benzyloxyl Radicals Assisted by Water
Antonio Fernández-ramos
Journal of Physical Chemistry A, 2002
View PDFchevron_right
UVA/B-Induced Formation of Free Radicals from Decabromodiphenyl Ether
Gabriele Ludewig
Environmental Science & Technology, 2009
View PDFchevron_right
Kinetics of the brominated alkyl radical (CHBr 2 , CH 3 CHBr) reactions with NO 2 in the temperature range 250-480 K
Raimo Timonen
International Journal of Chemical Kinetics, 2012
View PDFchevron_right
A Theoretical and Experimental Kinetic Study of Phenyl Radical Addition to Butadiene
Bryan M Wong
Proceedings of the Combustion Institute, 30, 1049 (2005)
View PDFchevron_right
Photocleavage reaction of bromoacetylnaphthalene studied by FT-EPR and transient absorption spectroscopy
Kiminori Maeda
View PDFchevron_right
Gas-phase reactivity of the formyl radical with unsaturated hydrocarbons: an experimental and theoretical study
B. Veyret
Journal of the American Chemical Society, 1986
View PDFchevron_right
Kinetic parameters of abstraction reactions of OH radical with ethylene, fluoroethylene, cis- and trans-1,2-difluoroethylene and 1,1-difluoroethylene, in the temperature range of 200–400K: Gaussian-3/B3LYP theory
Mohamad Ali
Chemical Physics Letters, 2011
View PDFchevron_right
Kinetic Barriers of H-Atom Transfer Reactions in Alkyl, Allylic, and Oxoallylic Radicals as Calculated by Composite Ab Initio Methods
Donald W Burgess
The Journal of Physical Chemistry A, 2009
View PDFchevron_right
Study of antiradical mechanisms with dihydroxybenzenes using reaction force and reaction electronic flux
Bárbara Herrera
Physical chemistry chemical physics : PCCP, 2017
View PDFchevron_right
Theoretical study of the reactivity of hydrocarbon and oxygenated alkoxy radicals: comparison of the isomerization and the b-c-h bond dissociation pathways
Frédéric Bohr
Reaction Kinetics and Catalysis Letters, 2005
View PDFchevron_right
Comparative Kinetics of the 3-Buten-1-ol and 1-Butene Reactions with OH Radicals: A Density Functional Theory/RRKM Investigation
pablo cometto
Journal of Physical Chemistry A, 2015
View PDFchevron_right
An experimental and theoretical study of the kinetics of the reaction between 3-hydroxy-3-methyl-2-butanone and OH radicals
Alexandre Tomas
RSC Adv., 2015
View PDFchevron_right
Secondary decomposition of C[sub 3]H[sub 5] radicals formed by the photodissociation of 2-bromopropene
Haiyan Fan
The Journal of Chemical Physics, 2007
View PDFchevron_right