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Reactivity of CHI3 with OH Radicals: X-Abstraction Reaction Pathways (X = H, I), Atmospheric Chemistry, and Nuclear Safety
J. Phys. Chem. A, 2014, 118, Pages 9512-9520Article dans une revue scientifique -
A Theoretical Study of the Microhydration of Iodic Acid (HOIO2)
Computational and theoretical Chemistry, 2016, 1094, Pages 98-107Article dans une revue scientifique -
MS-CASPT2 study of the ground and low lying states of CsH+
Journal of Molecular Modeling, 2017, 23, 1-7Article dans une revue scientifique -
A DFT and Ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals
The Journal of Physical Chemistry A, 2016, 120, 1737-1749Article dans une revue scientifique -
Caesium hydride: MS-CASPT2 potential energy curves and A1Σ+ → X1Σ+ absorption/emission spectroscopy
The Journal of Chemical Physics, 2017, 146, 104304Article dans une revue scientifique -
Thermochemistry of HIO2 species and Reactivity of Iodous Acid (HOIO) with OH radical: A Computational Study
ACS Earth Space Chemistry, 2017, 1, 39-49Article dans une revue scientifique -
Computational study of the I2O5 + H2O = 2 HOIO2 gas-phase reaction
Chemical Physics Letters, 2016, 662, 114-119Article dans une revue scientifique -
Research Works on Iodine and Ruthenium Behavior in Severe Accident Conditions
ASME Journal of Nuclear Engineering and Radiation Science, 2018, 4Article dans une revue scientifique -
A Theoretical Study of the Kinetics of the Hydrogen Atom Abstraction Reactions from Cyclopropane by H, O (3P), and Cl (2P3/2) Atoms and OH Radicals
International Journal of Chemical Kinetics, 2015, 47, Pages 232-245Article dans une revue scientifique -
Thermochemistry of ruthenium oxyhydroxides species and their impact on volatile speciation in severe nuclear accident conditions
J. Phys. Chem. A, 2016, 120, Pages 606-614Article dans une revue scientifique