Canneaux S - Search Results

1

Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism.

Canneaux S, Vandeputte R, Hammaecher C, Louis F, Ribaucour M. Canneaux S, et al. J Phys Chem A. 2012 Jan 12;116(1):592-610. doi: 10.1021/jp208382t. Epub 2011 Dec 28. J Phys Chem A. 2012. PMID: 22204492

2

A theoretical study of the kinetics of the benzylperoxy radical isomerization.

Canneaux S, Louis F, Ribaucour M, Minetti R, El Bakali A, Pauwels JF. Canneaux S, et al. J Phys Chem A. 2008 Jul 3;112(26):6045-52. doi: 10.1021/jp711231c. Epub 2008 Jun 11. J Phys Chem A. 2008. PMID: 18543895

3

A CASPT2 theoretical study of the kinetics of the 2-, 3-, and 4-methylbenzylperoxy radical isomerization.

Canneaux S, Louis F, Ribaucour M, El Bakali A, Pauwels JF. Canneaux S, et al. J Phys Chem A. 2009 Mar 26;113(12):2995-3003. doi: 10.1021/jp811137d. J Phys Chem A. 2009. PMID: 19243124

4

Theoretical study of H-abstraction reactions from CH3Cl and CH3Br molecules by ClO and BrO radicals.

Canneaux S, Hammaecher C, Cours T, Louis F, Ribaucour M. Canneaux S, et al. J Phys Chem A. 2012 May 3;116(17):4396-408. doi: 10.1021/jp301557c. Epub 2012 Apr 24. J Phys Chem A. 2012. PMID: 22530645

5

Theoretical study of the gas-phase reactions of iodine atoms ((2)P(3/2)) with H(2), H(2)O, HI, and OH.

Canneaux S, Xerri B, Louis F, Cantrel L. Canneaux S, et al. J Phys Chem A. 2010 Sep 2;114(34):9270-88. doi: 10.1021/jp104163t. J Phys Chem A. 2010. PMID: 20672845

6

A theoretical study of the H-abstraction reactions from HOI by moist air radiolytic products (H, OH, and O (3P)) and iodine atoms (2P(3/2)).

Hammaecher C, Canneaux S, Louis F, Cantrel L. Hammaecher C, et al. Among authors: canneaux s. J Phys Chem A. 2011 Jun 23;115(24):6664-74. doi: 10.1021/jp202760u. Epub 2011 May 27. J Phys Chem A. 2011. PMID: 21618988

7

Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals: the OH-addition pathway.

Shiroudi A, Deleuze MS, Canneaux S. Shiroudi A, et al. Among authors: canneaux s. J Phys Chem A. 2014 Jul 3;118(26):4593-610. doi: 10.1021/jp411327e. Epub 2014 Jun 13. J Phys Chem A. 2014. PMID: 24852311

8

Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals: the O2 addition reaction pathways.

Shiroudi A, Deleuze MS, Canneaux S. Shiroudi A, et al. Among authors: canneaux s. Phys Chem Chem Phys. 2015 May 28;17(20):13719-32. doi: 10.1039/c5cp01934f. Epub 2015 May 5. Phys Chem Chem Phys. 2015. PMID: 25942699

9

Photoabsorption measurements and theoretical calculations of the electronic state spectroscopy of propionic, butyric, and valeric acids.

Vicente A, Antunes R, Almeida D, Franco IJ, Hoffmann SV, Mason NJ, Eden S, Duflot D, Canneaux S, Delwiche J, Hubin-Franskin MJ, Limão-Vieira P. Vicente A, et al. Among authors: canneaux s. Phys Chem Chem Phys. 2009 Jul 21;11(27):5729-41. doi: 10.1039/b823500g. Phys Chem Chem Phys. 2009. PMID: 19842491

10

KiSThelP: a program to predict thermodynamic properties and rate constants from quantum chemistry results.

Canneaux S, Bohr F, Henon E. Canneaux S, et al. J Comput Chem. 2014 Jan 5;35(1):82-93. doi: 10.1002/jcc.23470. J Comput Chem. 2014. PMID: 24190715

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