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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
Journal of Physical Chemistry A, 2022, 126 (7), pp.1211-1220. ⟨10.1021/acs.jpca.1c08936⟩
Article dans une revue hal-03566581v1

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

Photodissociation of a HCl molecule adsorbed on ice at T=210K

Sylvain Woittequand , Céline Toubin , Maurice Monnerville , Brigitte Pouilly , Stéphane Briquez , et al.
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2007, 601 (14), pp.3034-3041. ⟨10.1016/j.susc.2007.05.006⟩
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
J.Phys.Chem.C, 2017, ⟨10.1021/acs.jpcc.7b02728⟩
Article dans une revue hal-03541624v1

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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The DADI model: Computation of the mass absorption cross section of two coalesced soot nanoparticles from atomistic information.

Nicolas Brosseau-Habert , Faoulat Miradji , Sylvain Picaud , Michel Devel
Bremen Workshop on Light Scattering 2024, Mar 2024, Brême, Germany. pp.105-114
Communication dans un congrès hal-04541363v1

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

Adsorption of acetic acid on ice: Experiments and molecular dynamics simulations

S. Picaud , P. Hoang , N. Peybernès , Stéphane Le Calvé , Ph. Mirabel
Journal of Chemical Physics, 2005, 122 (19), pp.194707. ⟨10.1063/1.1888368⟩
Article dans une revue hal-02416655v1

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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Adsorption of H2O2 at the surface of Ih ice, as seen from grand canonical Monte Carlo simulations

Sylvain Picaud , Pál Jedlovszky
Chemical Physics Letters, 2014, 600 (7), pp.73 - 78. ⟨10.1016/j.cplett.2014.03.050⟩
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

Molecular-scale simulations of organic compounds on ice: application to atmospheric and interstellar sciences

Sylvain Picaud , Pál Jedlovszky
Molecular Simulation, 2018, 45 (4-5), pp.403-416. ⟨10.1080/08927022.2018.1502428⟩
Article dans une revue hal-02066498v1
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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
Chemical Physics, 2019, 523, pp.18-27. ⟨10.1016/j.chemphys.2019.03.021⟩
Article dans une revue hal-02989255v1

Adsorption of Hydroxyacetone on Pure Ice Surfaces

Mélanie Petitjean , Maria Darvas , Sylvain Picaud , Pál Jedlovszky , Stéphane Le Calvé
ChemPhysChem, 2010, 11 (18), pp.3921-3927. ⟨10.1002/cphc.201000629⟩
Article dans une revue istex hal-02308882v1

Structure and reactivity of carbon multivacancies in graphene

Mohamed Oubal , Sylvain Picaud , Marie-Thérèse Rayez , Jean-Claude Rayez
Computational and Theoretical Chemistry, 2012, 990, pp.159-166. ⟨10.1016/j.comptc.2012.01.008⟩
Article dans une revue istex hal-00710335v1
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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
Journal of Molecular Liquids, 2017, 245, pp.17-26. ⟨10.1016/j.molliq.2017.05.110⟩
Article dans une revue hal-03541630v1

Volatile inventories in clathrate hydrates formed in the primordial nebula

Olivier Mousis , Jonathan Lunine , Sylvain Picaud , Daniel Cordier
Faraday Discussions, 2010, 147, pp.509. ⟨10.1039/c003658g⟩
Article dans une revue hal-02282019v1

Volatile inventories in clathrate hydrates formed in the primordial nebula.

Olivier Mousis , Jonathan I. Lunine , Sylvain Picaud , Daniel Cordier
Faraday Discussions, 2010, 147, pp.509-525. ⟨10.1039/C003658G⟩
Article dans une revue hal-00555848v1

Mars cryosphere: A potential reservoir for heavy noble gases?

Olivier Mousis , Jonathan I. Lunine , Eric Chassefière , Franck Montmessin , Azzedine Lakhlifi , et al.
Icarus, 2012, 218 (1), pp.80-87. ⟨10.1016/j.icarus.2011.12.007⟩
Article dans une revue istex hal-00654845v1

Optical identification of carbonaceous nanoparticles NanoteC11 Carbon, Nanoscience, and Technology

Michel Devel , R. Langlet , M.R. Vanacharla , S. Picaud
Optical identification of carbonaceous nanoparticles NanoteC11 Carbon, Nanoscience, and Technology, 2011, ., France
Communication dans un congrès hal-00654852v1

Efficient trapping of noble gases by clathrates on Titan

C. Thomas , Sylvain Picaud , O. Mousis , V. Ballenegger
39th Lunar and Planetary Science Conference, Mar 2008, Leaque City (Texas), United States
Communication dans un congrès hal-00498344v1
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Dynamics of ice Ih films upon methanol adsorption : quasielastic neutron scattering experiments and molecular dynamics simulations

Stéphanie Lucas , Daniel Ferry , Benjamin Demirdjian , Jean Suzanne , Sylvain Picaud , et al.
11th International Conference on the Physics and Chemistry of Ice (PCI-2006), Jul 2006, Bremerhaven, Germany
Poster de conférence hal-03691102v1

European Planetary Science Congress

Caroline Thomas , Olivier Mousis , Sylvain Picaud , Vincent Ballenegger , Bernard Schmitt
Do clathrate hydrates have any influence on the atmosphere of Mars ?, Sep 2008, Münster, Germany
Communication dans un congrès hal-00497020v1

Water monolayers on MgO(100): structural investigations by LEED experiments, tensor LEED dynamical analysis and potential calculations

Daniel Ferry , Sylvain Picaud , Paul N.M. Hoang , Claude Girardet , Livia Giordano , et al.
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 1998, 409 (1), pp.101-116. ⟨10.1016/S0039-6028(98)00272-6⟩
Article dans une revue istex hal-03002417v1
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A theoretical investigation into the trapping of noble gases by clathrates on Titan

Caroline Thomas , Sylvain Picaud , Olivier Mousis , Vincent Ballenegger
Planetary and Space Science, 2008, 56 (12), pp.1607-1617. ⟨10.1016/j.pss.2008.04.009⟩
Article dans une revue hal-00337029v1

Quelques contributions théoriques en milieu atmosphérique hétérogène

Jean-Claude Rayez , Marie-Thérèse Rayez , Sylvain Picaud , Mohamed Oubal
80ème congrès de l'Acfas (association francophone pour le savoir): simulations numériques en chimie et biochimie - des petites molecules isolées aux macromolecules en phase condensée, May 2012, ., France
Communication dans un congrès hal-00760086v1
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A grand canonical Monte Carlo simulation study of water adsorption on a model soot particle.

Franck Moulin , Sylvain Picaud , Paul N.M. Hoang , Livia Partay , Pál Jedlovszky
Molecular Simulation, 2006, 32 (07), pp.487-493. ⟨10.1080/08927020600622048⟩
Article dans une revue hal-00514978v1
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Possible evidence for a methane source in Enceladus' ocean

Alexis Bouquet , Olivier Mousis , J. Hunter Waite , Sylvain Picaud
Geophysical Research Letters, 2015, 42 (5), pp.1334--1339. ⟨10.1002/2014GL063013⟩
Article dans une revue istex hal-01434378v1

Photodissociation of a HCl molecule adsorbed on ice at T=210 K

S. Woittequand , C. Toubin , M. Monnerville , B. Pouilly , S. Briquez , et al.
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2007, 601, pp.3034-3041
Article dans une revue hal-00186019v1

Simulation of the adsorption of oxalic acid on ice surface - indications for atmospheric aerosol formation

M. Darvas , Sylvain Picaud
Physics and Chemistry of Ice (PCI 2010), 2010, ., Japan
Communication dans un congrès hal-00591563v1