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Rate Constant Calculation of Benzylperoxy Radical Isomerization
Reaction Rate Constant Computations: Theories and Applications, Royal Society of Chemistry, 2013Partie d'ouvrage -
A Theoretical Study of the X-Abstraction Reactions (X = H, Br, or I) from CH2IBr by OH Radicals: Implications for Atmospheric Chemistry
Zeitschrift für Physikalische Chemie, 2013, 227, Pages 1337-1359Article dans une revue scientifique -
Atmospheric Reactivity of CH2ICl with OH Radicals: High-Level OVOS CCSD(T) Calculations for the X-Abstraction Pathways (X = H, Cl, or I)
J. Phys. Chem. A, 2013, 117, Pages 771-782Article dans une revue scientifique -
Thermochemistry of small iodine species
Phys. Scr., 2013, 88, Page 058304Article dans une revue scientifique -
Advances in mechanistic understanding of iodine behaviour in PHEBUS-FP tests with the help of ab initio calculations
Annals of nuclear energy, 2013, 61, 170-178Article dans une revue scientifique -
A theoretical study of H- and I-abstraction reactions from CH3I molecule by I (2P3/2) atom and IO radical
Computational and theoretical Chemistry, 2013, 1012, Pages 72-83Article dans une revue scientifique