Céline TOUBIN

Professeure des universités - Physique Atomique et moléculaire
CNU : SECTION 30 - MILIEUX DILUES ET OPTIQUE
    +33320434380
067 - P5bis
celine_toubin.jpg

Céline TOUBIN

Professeure des universités - Physique Atomique et moléculaire

Publications

·  Toubin, C.; Picaud, S.; Girardet, C. Adsorption of Small Polar Molecules as a Probe of the Surface Electric Field Created by Water Layers Supported by MgO(100): A Theoretical Study. Chem. Phys.1999244(2-3), 227–249. 

·  Toubin, C.; Picaud, S.; Hoang, P. N. M.; Girardet, C.; Lynden-Bell, R. M. Transfer of a Pollutant Molecule through a Water Film Supported by MgO(100): Free Energy Profiles. Surf. Rev. Lett.19996(6), 1265–1274.

·  Picaud, S.; Toubin, C.; Girardet, C. Monolayers of Acetone and Methanol Molecules on Ice. Surf Sci2000454(1), 178–182.

·  Toubin, C.; Hoang, P. N. M.; Picaud, S.; Girardet, C. The Passage of Small Molecules through a Water Film Supported by MgO(100): Transfer Times from Molecular Dynamics Simulations. J Chem Phys2000113(3), 1184–1193.

·  Toubin, C.; Hoang, P. N. M.; Picaud, S.; Girardet, C. Time Study of Pollutants at the Surface of Ice at 200 K. Chem. Phys. Lett.2000329(5-6), 331–335.

·  Girardet, C.; Toubin, C. Molecular Atmospheric Pollutant Adsorption on Ice: A Theoretical Survey. Surf Sci Rep200144(7-8), 159–238.

·  Toubin, C.; Picaud, S.; Hoang, P. N. M.; Girardet, C.; Demirdjian, B.; Ferry, D.; Suzanne, J. Dynamics of Ice Layers Deposited on MgO(001): Quasielastic Neutron Scattering Experiments and Molecular Dynamics Simulations. J Chem Phys2001,114(14), 6371–6381.

·  Compoint, M.; Toubin, C.; Picaud, S.; Hoang, P. N. M.; Girardet, C. Geometry and Dynamics of Formic and Acetic Acids Adsorbed on Ice. Chem. Phys. Lett.2002,365(1-2), 1–7.

·  Demirdjian, B.; Ferry, D.; Suzanne, J.; Toubin, C.; Picaud, S.; Hoang, P. N. M.; Girardet, C. Structure and Dynamics of Ice Ih Films upon HCl Adsorption between 190 and 270 K. I. Neutron Diffraction and Quasielastic Neutron Scattering Experiments. J Chem Phys2002116(12), 5143–5149. DOI : 10.1063/1.1454990

· Picaud, S.; Toubin, C.; Hoang, P. N. M.; Girardet, C. Dynamics of Ice Layers Adsorbed on a Dielectric Support. Surf Sci2002502-503, 268–274.

· Toubin, C.; Picaud, S.; Hoang, P. N. M.; Girardet, C.; Demirdjian, B.; Ferry, D.; Suzanne, J. Structure and Dynamics of Ice Ih Films upon HCl Adsorption between 190 and 270 K. II. Molecular Dynamics Simulations. J Chem Phys2002116(12), 5150–5157. DOI : 10.1063/1.1454991

· Toubin, C.; Yeung, D. Y.-H.; English, A. M.; Peslherbe, G. H. Theoretical Evidence That Cu Complexation Promotes Degradation of S-Nitrosothiols. J. Am. Chem. Soc.2002124(50), 14816–14817. DOI :10.1021/ja027386t

· Suzanne, J.; Ferry, D.; Demirdjian, B.; Girardet, C.; Toubin, C.; Picaud, S.; Hoang, P. N. M. The Effect of HCl Adsorption on the Structure and Dynamics of the Ice Surface. Can J Phys2003,81(1-2), 415–422. DOI : 10.1139/p03-006

· Toubin, C.; Picaud, S.; Hoang, P. N. M.; Girardet, C.; Lynden-Bell, R. M.; Hynes, J. T. Adsorption of HF and HCl Molecules on Ice at 190 and 235 K from Molecular Dynamics Simulations: Free Energy Profiles and Residence Times. J Chem Phys2003118(21), 9814–9823.DOI: 10.1063/1.1570408

· Chazallon, B.; Lebrun, N.; Dhamelincourt, P.; Toubin, C.; Focsa, C. Micro-Raman Investigations of the Formaldehyde-Ice System. J Phys Chem B2005109(1), 432–439. DOI :10.1021/jp040244w

· Woittequand, S.; Toubin, C.; Pouilly, B.; Monnerville, M.; Briquez, S.; Meyer, H.-D. Photodissociation of a HCl Molecule Adsorbed on Ice. Chem. Phys. Lett.2005406(1-3), 202–209. DOI :10.1016/j.cplett.2005.02.101

· Ballenegger, V.; Picaud, S.; Toubin, C. Molecular Dynamics Study of Diffusion of Formaldehyde in Ice. Chem. Phys. Lett.2006432(1-3), 78–83. DOI :10.1016/j.cplett.2006.10.014

· Koch, D. M.; Toubin, C.; Xu, S.; Peslherbe, G. H.; Hynes, J. T. Concerted Proton-Transfer Mechanism and Solvation Effects in the HNC/HCN Isomerization on the Surface of Icy Grain Mantles in the Interstellar Medium. J. Phys. Chem. C2007111(41), 15026–15033. DOI :10.1021/jp076220h

· Woittequand, S.; Duflot, D.; Monnerville, M.; Pouilly, B.; Toubin, C.; Briquez, S.; Meyer, H.-D. Classical and Quantum Studies of the Photodissociation of a HX (X=Cl, F) Molecule Adsorbed on Ice. J Chem Phys2007127(16).DOI: 10.1063/1.2799519.

· Woittequand, S.; Toubin, C.; Monnerville, M.; Pouilly, B.; Briquez, S.; Picaud, S. Photodissociation of a HCl Molecule Adsorbed on Ice at T = 210 K. Surf Sci2007601(14), 3034–3041. DOI :10.1016/j.susc.2007.05.006

· Bahr, S.; Toubin, C.; Kempter, V. Interaction of Methanol with Amorphous Solid Water. J Chem Phys2008,128(13).DOI :10.1063/1.2901970

· Koch, D. M.; Toubin, C.; Peslherbe, G. H.; Hynes, J. T. A Theoretical Study of the Formation of the Aminoacetonitrile Precursor of Glycine on Icy Grain Mantles in the Interstellar Medium. J. Phys. Chem. C2008112(8), 2972–2980. DOI :10.1021/jp076221

· Woittequand, S.; Duflot, D.; Monnerville, M.; Pouilly, B.; Toubin, C.; Briquez, S.; Meyer, H.-D. Erratum: Classical and Quantum Studies of the Photodissociation of a HX (X=Cl, F) Molecule Adsorbed on Ice [J. Chem. Phys. 127, 164717 (2007)]. J Chem Phys2009131(4).

· Woittequand, S.; Toubin, C.; Monnerville, M.; Briquez, S.; Pouilly, B.; Meyer, H.-D. Multiconfiguration Time-Dependent Hartree and Classical Dynamics Studies of the Photodissociation of HF and HCl Molecules Adsorbed on Ice: Extension to Three Dimensions. J Chem Phys2009,131(19). DOI :10.1063/1.3263605

· Peters, P. S.; Duflot, D.; Faure, A.; Kahane, C.; Ceccarelli, C.; Wiesenfeld, L.; Toubin, C. Theoretical Investigation of the Isomerization of Trans -HCOH to H2CO: An Example of a Water-Catalyzed Reaction. J Phys. Chem. A2011115(32), 8983–8989. DOI :10.1021/jp202052h.

· Abbatt, J. P. D.; Thomas, J. L.; Abrahamsson, K.; Boxe, C.; Granfors, A.; Jones, A. E.; King, M. D.; Saiz-Lopez, A.; Shepson, P. B.; Sodeau, J.; et al. Halogen Activation via Interactions with Environmental Ice and Snow in the Polar Lower Troposphere and Other Regions. Atmos. Chem. Phys.201212(14), DOI :10.5194/acp-12-6237-2012

· McNeill, V. F.; Grannas, A. M.; Abbatt, J. P. D.; Ammann, M.; Ariya, P.; Bartels-Rausch, T.; Domine, F.; Donaldson, D. J.; Guzman, M. I.; Heger, D.; et al. Organics in Environmental Ices: Sources, Chemistry, and Impacts. Atmos. Chem. Phys.201212(20), 9653–9678. DOI:10.5194/acp-12-9653-2012

· Peters, P. S.; Duflot, D.; Wiesenfeld, L.; Toubin, C. The H + CO HCO Reaction Studied by Ab Initio Benchmark Calculations. J Chem Phys2013,139(16).DOI : 10.1063/1.4826171

· Taquet, V.; Peters, P. S.; Kahane, C.; Ceccarelli, C.; López-Sepulcre, A.; Toubin, C.; Duflot, D.; Wiesenfeld, L. Water Ice Deuteration: A Tracer of the Chemical History of Protostars. Astron. Astrophys.2013550. DOI :10.1051/0004-6361/201220084

· Habartová, A.; Hormain, L.; Pluhařová, E.; Briquez, S.; Monnerville, M.; Toubin, C.; Roeselová, M. Molecular Simulations of Halomethanes at the Air/Ice Interface. J Phys Chem A2015119(39), 10052–10059. DOI :10.1021/acs.jpca.5b06071

· Hormain, L.; Monnerville, M.; Toubin, C.; Duflot, D.; Pouilly, B.; Briquez, S.; Bernal-Uruchurtu, M. I.; Hernández-Lamoneda, R. Ground State Analytical Ab Initio Intermolecular Potential for the Cl2-Water System. J Chem Phys2015,142(14). DOI :10.1063/1.4917028

·      Lovric, J.; Duflot, D.; Monnerville, M.; Toubin, C.; Briquez, S. Water Induced Organization of Palmitic Acid at the Surface of a Model Sea-Salt Particle: a Molecular Dynamics Study. J. Phys. Chem. A2016,120, 51, 10141-10149DOI: 10.1021/acs.jpca.6b07792

·      Kong, X.; Toubin, C.; Habartova, A.; Pluharova, E. ; Roeselova, M. ;Pettersson, J.B.C. Rapid water transport through organic layers on ice, J. Phys. Chem. A2018, 122,21, 4861. DOI: 10.1021/acs.jpca.8b01951

·      Michoulier, Noble, J.A.; Simon, A. ; Mascetti, J. ; Toubin C. Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics, Phys. Chem. Chem. Phys. 201820, 8753. DOI:10.1039/C8CP00593A

E
·      Michoulier, E.; Ben Amor, N.; Rapacioli, M.; Noble, J.A.; Mascetti, J. ; Toubin C.; Simon, A. Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice, Phys. Chem. Chem. Phys.2018, 20, 11941. DOI:10.1039/C8CP01175C.

·      Johansson, S. M.; Lovrić, J.; Kong, X.;Thomson, E. S.; Papagiannakopoulos, P.;Briquez, P.;Toubin, C.; Pettersson, J.B.C. Phys. Chem. Chem. Phys.201921, 1141. DOI: 10.1039/C8CP04151B

·      Roose, A.; Toubin, C.; Dusanter, S.; Riffault, V.; Duflot, D.  Classical molecular dynamics study of small-chain carboxylic acid aerosol particles. Earth Space and Chemistry, 201933, 380-389. DOI:10/1021/acsearthspacechem.8b00172.

Vulgarisation scientifique

 

« Les mots de la COP21 : #GES » - theconversation.com/les-mots-de-la-cop21-ges-50156

 

S. SOBANSKA, G. BILLON, P. CODDEVILLE, J.-P. CORNARD, P. DESGROUX, A. EL BAKALI, V. NOLLET, S. FOURMENTIN, D. LANDY, L. LESVEN, F. LOUIS, J. LOVRIC, X. MERCIER, A. MONCOMBLE, E. THERSSEN, A. TOMAS, C. TOUBIN, La chimie en Hauts-de-France : Chimie et environnement, L'Actualité Chimique, N°420, pp 23-28, juillet-août 2017.