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Theoretical study of the kinetics of the hydrogen abstraction from methanol. 3. Reaction of methanol with hydrogen atom, methyl, and hydroxyl radicals
Ab initio calculations at different levels of theory have been performed for the title H-abstraction reactions. Total energies at stationary points of the potential energy surfaces for the reactionExpand
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Kinetics of the self-reaction and the reaction with OH of the amidogen radical
Abstract The kinetics of the self-reaction and the reaction with OH of the amidogen radical were studied at 298 K by pulse radiolysis combined with UV detection of NH 2 and OH radicals at 597.7 andExpand
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Theoretical study of the kinetics of the hydrogen abstraction from methanol, 1. Reaction of methanol with fluorine atoms
Ab initio calculations at different levels of theory and using several basis sets were performed for the title two-channel hydrogen-abstraction reaction. Conclusions are drawn from G2 energies. TheseExpand
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Experimental and theoretical studies of the reaction between CF3 and NO2 at 298 K
Abstract The title reaction has been studied by pulse radiolysis combined with time-resolved infrared diode laser spectroscopy. The kinetics of CF 3 were analysed taking into account the twoExpand
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Kinetics of the gas-phase reaction between ethyl and hydroxyl radicals
The kinetics of the reactions C2H5+OH(+M)→products (+M) (1) were studied at room temperature by pulse radiolysis of C2H6/H2O/SF6 mixtures. The ethyl radical decay was followed by monitoring the UVExpand
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Kinetics of the cross reaction between amidogen and methyl radicals
Abstract For the title reaction, the pressure dependent rate coefficients were studied at 298 K using two complementary experimental techniques. Pulse radiolysis combined with UV absorption wasExpand
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Experimental and theoretical studies of gas phase NO3 and OH radical reactions with formaldehyde, acetaldehyde and their isotopomers
The vapour phase reactions of formaldehyde, formaldehyde-d2, 13C-formaldehyde, acetaldehyde, acetaldehyde-1-d1, acetaldehyde-2,2,2-d3, and acetaldehyde-d4 with NO3 and OH radicals were studied at 298Expand
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Theoretical Study of the Kinetics of the Hydrogen Abstraction from Methanol. 2. Reaction of Methanol with Chlorine and Bromine Atoms
Ab initio calculations at different levels of theory and using several basis sets have been performed for the title two-channel hydrogen-abstraction reactions CH3OH + Cl and Br. These calculationsExpand
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Theoretical study of the kinetics and mechanism of the decomposition of trifluoromethanol, trichloromethanol, and tribromomethanol in the gas phase
Ab initio calculations at the G2 level were used in a theoretical analysis of the kinetics of unimolecular and water-accelerated decomposition of the halogenated alcohols CX3OH (X = F, Cl, and Br)Expand
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Pressure and temperature dependence of the gas-phase reaction between methyl and hydroxyl radicals
Abstract The kinetics of the reaction CH 3 + OH (+M)→CH 3 OH(+M) was studied in the temperature range 283–373 K and in the pressure range 85–1000 mbar SF 6 by pulse radiolysis combined with UVExpand
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