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Listado de publicaciones recientes - Cinética química y fotoquímica en fase gaseosa

"Theoretical kinetic study of the reaction of SF5 radical with F2, Cl2 and SF5"
Buendía-Atencio, C., Pieffet, G.P., Croce, A.E., Cobos, C.J.
Computational and Theoretical Chemistry, Volume 1090, 15 August 2016, Pages 41-46


"Thermal Decomposition of 3-Bromopropene. A Theoretical Kinetic Investigation"
Tucceri, M.E., Badenes, M.P., Bracco, L.L.B., Cobos, C.J.
Journal of Physical Chemistry A, Volume 120, Issue 15, 2 May 2016, Pages 2285-2294


"Theoretical Study of the Microscopic Solvation of Alkali and Alkaline- Earth Monohydroxides in (H2O)m  (m ≤ 3) Clusters."
Maximiliano Rossa, Juan Carlos Ferrero, Iván Cabanillas-Vidosa, and Carlos J. Cobos.
Chemical Physics Letters. 620, 19-24 (2015).

 
"EXAFS and DFT Study of the Cadmium and Lead Adsorption on Modified Silica Nanoparticles."
Valeria B. Arce, Romina M. Gargarello, Florencia Ortega, Virginia Romañano, Martín Mizrahi, José M. Ramallo-López, Carlos J. Cobos, Claudio Airoldi, Cecilia Bernardelli, Edgardo R. Donati and Daniel O. Mártire.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 151, 156-163 (2015)

 
"Theoretical Kinetics Study of the Reactions Forming the ClCO Radical Cycle in the Middle Atmosphere of Venus."
Adela E. Croce and Carlos J. Cobos.
Zeitschrift für Physikalische Chemie. 229 (10-12), 1541-1559 (2015)

 
"Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8".
C. J. Cobos, K. Hintzer, L. Sölter, E. Tellbach, A. Thaler and J. Troe.       
Physical Chemistry Chemical Physics. 17, 32219-32224 (2015).

 
"Quantum chemical characterization of the CF2(OH)CF2OONO2 and CF3CF2OONO2 peroxynitrates and related radicals."
Rosa Isabel Delvalle Mongelós and María Paula Badenes.
Computational and Theoretical Chemistry. 1062, 65-73 (2015)

 
"Caracterización estructural, espectroscópica y termoquímica del C2Cl4 de interés medioambiental."
María Liz Ferreira y María Eugenia Tucceri.
Reportes Científicos de la FaCEN. 6 (2), 22-31 (2015)

 
“Theoretical kinetic study of the unimolecular decomposition of 2-bromopropene”.
L.L.B. Bracco, M.P. Badenes, M.E. Tucceri y C.J. Cobos.
Chemical Physics Letters 608, 386-392 (2014).

 
“Shock wave study of the thermal dissociations of C3F6 and c-C3F6. I. dissociation of hexafluoropropene”.
C.J. Cobos, L. Sölter, E. Tellbach y J. Troe.
Journal of Physical Chemistry A 118(27), 4880-4888 (2014).

 
“Shock wave study of the thermal dissociations of C3F6 and c-C3F6. II. Dissociation of hexafluorocyclopropane and dimerization of CF2”.
C.J. Cobos, L. Sölter, E. Tellbach y J. Troe.
Journal of Physical Chemistry A. 118, 4873-4879 (2014).

 
“Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane”.

C.J.  Cobos, L. Sölter, E. Tellbach y J. Troe.
Physical Chemistry Chemical Physics 16, 9797-9807 (2014).

 
“Reactivity of  hydrochloroethers with OH radicals and chlorine atoms: Correlation with molecular properties”.
R.A. Taccone, P.R. Dalmasso, J.D. Nieto, P.M. Cometto, C.J. Cobos y S.I. Lane.
Atmospheric Environment 91, 104-109 (2014).

 
“Theoretical study of the electronic Spectrum of disulfur monoxide”.
A.E. Croce y C.J. Cobos.
Zeitschrift für Naturforschung A. 69a, 215-219 (2014).

 
“Formation and dissociation kinetics of the FC(O)OOO(O)CF,  FS(O2)OOO(O2)SF and  C(O)OOO(O2)SF trioxides. A theoretical study”.

M.P. Badenes, M.E. Tucceri y C.J. Cobos.
Chemical Physics Letters 616-617, 81-85 (2014).

 
“Theoretical study of the molecular conformations, vibrational frequencies and thermochemistry of the FC(O)OOO(O)CF, FS(O2)OOO(O2)SF and FC(O)OOO(O2)SF trioxides”.
M.P. Badenes, M.E. Tucceri y C.J. Cobos.
Computational and Theoretical Chemistry 1009,  86-93 (2013).

 
“Hydration of barium monohydroxide in (H2O)1-3 clusters: Theory and experiment”.
I.Cabanillas-Vidosa, M.  Rossa, G.A. Pino, J.C. Ferrero y C.J. Cobos.
Journal of Physical Chemistry A 117 (24),  4997-5006 (2013).

 
“Experimental and modeling study of the Reaction C2F4 (+ M) ↔ CF2 + CF2 (+ M)”.
C.J. Cobos, A.E. Croce, K. Luther, L. Sölter, E. Tellbach y J. Troe.
Journal of Physical Chemistry A 117 (45),  11420-11429 (2013).

 
“Quantum chemical and kinetics study of the thermal gas phase decomposition of 2-chloropropene”.
M.E. Tucceri, M.P. Badenes y C.J. Cobos.
Journal of Physical Chemistry A 117 (40), 10218-10227 (2013).