Detailed modeling of the atmospheric degradation mechanism of very-short lived brominated species
Krysztofiak, G., Catoire, V., Poulet, G., Marécal, V., Pirre, M., Louis, F., Canneaux, S., Josse, B.
Published in Atmospheric environment (1994) (01.11.2012)
Published in Atmospheric environment (1994) (01.11.2012)
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Photoabsorption measurements and theoretical calculations of the electronic state spectroscopy of propionic, butyric, and valeric acids
VICENTE, A, ANTUNES, R, HUBIN-FRANSKIN, M.-J, LIMAO-VIEIRA, P, ALMEIDA, D, FRANCO, I. J. A, HOFFMANN, S. V, MASON, N. J, EDEN, S, DUFLOT, D, CANNEAUX, S, DELWICHE, J
Published in Physical chemistry chemical physics : PCCP (21.07.2009)
Published in Physical chemistry chemical physics : PCCP (21.07.2009)
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Journal Article
Reaction and complex formation between OH radical and acetone
VASVARI, Gabor, SZILAGYI, Istvan, BENCSURA, Akos, DOBE, Sandor, BERCES, Tibor, HENON, Eric, CANNEAUX, Sebastien, BOHR, Frédéric
Published in Physical chemistry chemical physics : PCCP (01.01.2001)
Published in Physical chemistry chemical physics : PCCP (01.01.2001)
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Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals: the O2 addition reaction pathwaysElectronic supplementary information (ESI) available: Supplementary data (Tables S1-S3) associated with this article can be found, in the online version. Table S1: effective rate constants (in cm3 molecule−1 s−1) for the reported reaction channels obtained by means of RRKM theory at different pressures and temperatures, according to the computed UM06-2x/aug-cc-pVTZ energy
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Journal Article
Theoretical Study of the Gas-Phase Reactions of Iodine Atoms (2P3/2) with H2, H2O, HI, and OH
Canneaux, Sébastien, Xerri, Bertrand, Louis, Florent, Cantrel, Laurent
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2010)
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Journal Article
A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (3P)) and Iodine Atoms (2P3/2)
Hammaecher, Catherine, Canneaux, Sébastien, Louis, Florent, Cantrel, Laurent
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.06.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.06.2011)
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Journal Article
Ab initio calculations and iodine kinetic modeling in the reactor coolant system of a pressurized water reactor in case of severe nuclear accident
Xerri, Bertrand, Canneaux, Sébastien, Louis, Florent, Trincal, Julien, Cousin, Frédéric, Badawi, Michael, Cantrel, Laurent
Published in Computational and theoretical chemistry (15.06.2012)
Published in Computational and theoretical chemistry (15.06.2012)
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Journal Article
Features of the potential energy surface for the reaction of HO2 radical with acetone
Cours, T., Canneaux, S., Bohr, F.
Published in International journal of quantum chemistry (01.05.2007)
Published in International journal of quantum chemistry (01.05.2007)
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Journal Article
Features of the potential energy surface for the reaction of HO 2 radical with acetone
Cours, T., Canneaux, S., Bohr, F.
Published in International journal of quantum chemistry (01.01.2007)
Published in International journal of quantum chemistry (01.01.2007)
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Journal Article