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Adsorption of H2O2 at the surface of Ih ice, as seen from grand canonical Monte Carlo simulations
Sylvain Picaud
,
P. Jedlovszky
Chemical Physics Letters, 2014, 600, pp.73-78
Article dans une revue
hal-01001657v1
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Photodissociation of a HCl molecule adsorbed on ice at T=210K
Sylvain Woittequand
,
Céline Toubin
,
Maurice Monnerville
,
Brigitte Pouilly
,
Stéphane Briquez
,
et al.
Article dans une revue
istex
hal-02047027v1
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Analysis of Mixed Formic and Acetic Acid Aggregates Interacting with Water. A Molecular Dynamics Simulation Study
Bastien Radola
,
Sylvain Picaud
,
Delphine Vardanega
,
Pal Jedlovszky
Article dans une revue
hal-03541624v1
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A theoretical study of dielectric properties of carbon soot
R. Langlet
,
F. Moulin
,
S. Picaud
,
Michel Devel
,
M.R. Vanacharla
AIP Conference Proceedings, 2009, 1148, pp.709-711
Article dans une revue
hal-00419920v1
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DFT Study of the Formation of Atmospheric Aerosol Precursors from the Interaction between Sulfuric Acid and Benzenedicarboxylic Acid Molecules
Bastien Radola
,
Sylvain Picaud
,
Ismael Kenneth Ortega
Article dans une revue
hal-03566581v1
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UNREAL Project: Unveiling nucleation mechanism in aircraft engine exhaust and its link with fuel composition
Ismael K. Ortega
,
Cristian Focsa
,
Jean-Francois Doussin
,
Véronique Riffault
,
Sylvain Picaud
,
et al.
European Aerosol Conference, Aug 2019, Göthenburg, Sweden
Poster de conférence
hal-03124210v1
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A theoretical study of dielectric properties of carbon soot
R. Langlet
,
F. Moulin
,
S. Picaud
,
Michel Devel
,
M.R. Vanacharla
International Conference on Computational Methods in Sciences and Engineering, 2008, Hersonissos, Greece
Communication dans un congrès
hal-00503820v1
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Hydrogen chloride adsorption on large defective PAHs modeling soot surfaces and influence on water trapping: A DFT and AIMD study
Bastien Radola
,
Ludovic Martin-Gondre
,
Sylvain Picaud
,
Marie-Thérèse Rayez
,
Jean-Claude Rayez
Article dans une revue
hal-02989255v1
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Dependence of the adsorption of halogenated methane derivatives at the ice surface on their chemical structure
Sylvain Picaud
,
Ildikó Sumi
,
Pál Jedlovszky
Article dans une revue
hal-03541630v1
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Adsorption of H2O2 at the surface of Ih ice, as seen from grand canonical Monte Carlo simulations
Sylvain Picaud
,
Pál Jedlovszky
Article dans une revue
hal-04169383v1
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Comparative Study of the Adsorption of 1- and 2-Propanol on Ice by Means of Grand Canonical Monte Carlo Simulations
Julien Joliat
,
Sylvain Picaud
,
Pál Jedlovszky
ACS Earth and Space Chemistry, 2023, 127 (48), pp.10223-10232
Article dans une revue
hal-04050061v1
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Molecular-scale simulations of organic compounds on ice: application to atmospheric and interstellar sciences
Sylvain Picaud
,
Pál Jedlovszky
Article dans une revue
hal-02066498v1
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Adsorption of Hydroxyacetone on Pure Ice Surfaces
Mélanie Petitjean
,
Maria Darvas
,
Sylvain Picaud
,
Pál Jedlovszky
,
Stéphane Le Calvé
Article dans une revue
istex
hal-02308882v1
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Adsorption of acetic acid on ice: Experiments and molecular dynamics simulations
S. Picaud
,
P. Hoang
,
N. Peybernès
,
Stéphane Le Calvé
,
Ph. Mirabel
Article dans une revue
hal-02416655v1
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Structure and reactivity of carbon multivacancies in graphene
Mohamed Oubal
,
Sylvain Picaud
,
Marie-Thérèse Rayez
,
Jean-Claude Rayez
Article dans une revue
istex
hal-00710335v1
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Adsorption and aggregation of oxalic acid on ice surface
M. Darvas
,
Sylvain Picaud
Eighth Liblice Conference on the Statistical Mechanics of Liquids, Jun 2010, Brno, Czech Republic
Communication dans un congrès
hal-00497169v1
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A theoretical investigation of the influence of clathrate hydrates on the atmosphere of Mars
C. Thomas
,
Sylvain Picaud
,
O. Mousis
,
V. Ballenegger
A theoretical investigation of the influence of clathrate hydrates on the atmosphere of Mars, 2009, ., France. pp.1264
Communication dans un congrès
hal-00468789v1
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A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6H6 + OH.
Sylvain Picaud
,
Gyorgy Hantal
,
Barbara Collignon
,
Paul N.M. Hoang
,
Jean-Claude Rayez
,
et al.
Article dans une revue
hal-00530450v1
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Approche "bottom-up" pour l'identification optique de nanoparticules carbonées
M. Devel
,
Sylvain Picaud
journées " réponse optique des particules carbonées ", Nov 2011, Besançon, France
Communication dans un congrès
hal-00796548v1
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Optical identification of carbonaceous nanoparticles
M. Devel
,
Sylvain Picaud
NanoteC'11 - Carbon Nanoscience and Nanotechnology, Aug 2011, NANTES, France
Communication dans un congrès
hal-00796560v1
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PostdamClathrates hydrates as a trapping mechanism of noble gases in Titan's atmosphere
C. Thomas
,
V. Ballenegger
,
O. Mousis
,
Sylvain Picaud
European Planetary Science Congress 2007, Aug 2007, Postdam, Germany
Communication dans un congrès
hal-00497143v1
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Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. I. Neutron diffraction and quasielastic neutron scattering experiments
Benjamin Demirdjian
,
Daniel Ferry
,
Jean Suzanne
,
Céline Toubin
,
Sylvain Picaud
,
et al.
Article dans une revue
hal-03003070v1
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A semi-empirical potential model for calculating interactions between large aromatic molecules and graphite surfaces
B. Collignon
,
Paul N.M. Hoang
,
Sylvain Picaud
,
Daniel A. Liotard
,
Marie-Thérèse Rayez
,
et al.
Article dans une revue
hal-00112471v1
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A simple van't Hoff law for calculating Langmuir constants in clathrate hydrates
Azzedine Lakhlifi
,
Pierre-Richard Dahoo
,
Sylvain Picaud
,
Olivier Mousis
Article dans une revue
hal-01099974v1
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A similar to 32-70 K FORMATION TEMPERATURE RANGE FOR THE ICE GRAINS AGGLOMERATED BY COMET 67 P/CHURYUMOV-GERASIMENKO
S. Lectez
,
J. -M. Simon
,
O. Mousis
,
S. Picaud
,
Kathrin Altwegg
,
et al.
Article dans une revue
hal-01439960v1
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Gas trapping at the ice surface and in clathrate hydrates under astrophysical conditions, as studied by GCMC simulations
Julien Joliat
,
Sylvain Picaud
,
Antoine Patt
Goldschmidt 2023 Conference, European Association of Geochemistry and the Geochemical Society, Jul 2023, Lyon, France. ⟨10.7185/gold2023.16819⟩
Communication dans un congrès
hal-04384123v1
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Multiscale Modeling of Interfacial Oxidation Mechanism at Air/Organic Interface: Reactions of CH 2 ═CH-Terminated Self-Assembled Monolayer with OH • , O 3 , and HO 2 •
Kitti Korcsok
,
Milán Szőri
,
Balázs Fábián
,
Sylvain Picaud
,
Pál Jedlovszky
,
et al.
Article dans une revue
hal-02469042v1
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Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations
Balázs Fábián
,
Sylvain Picaud
,
Pál Jedlovszky
,
Aurélie Guilbert-Lepoutre
,
Olivier Mousis
Article dans une revue
hal-03547559v1
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Adsorption of C2–C5 alcohols on ice: A grand canonical Monte Carlo simulation study
Julien Joliat
,
Sylvain Picaud
,
Antoine Patt
,
Pal Jedlovszky
Article dans une revue
hal-03691928v1
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Calculations of the mass absorption cross sections for carbonaceous nanoparticles modeling soot
C. García Fernández
,
Sylvain Picaud
,
M. Devel
Article dans une revue
hal-04169426v1
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