S. Picaud

发表

Possible evidence for a methane source in Enceladus' ocean

J. Waite, O. Mousis, A. Bouquet, 2015 .

Adsorption of polar molecules on substrates with strong electric surface fields: from aggregates to monolayers

S. Picaud, C. Girardet, 1993 .

Martian zeolites as a source of atmospheric methane

F. Schmidt, V. Sautter, E. Chassefière, 2016, 1605.07579.

Vibrational infrared spectrum of NH3 adsorbed on MgO(100). II. Interatomic potential calculations

A. Allouche, S. Picaud, C. Girardet, 1995 .

Volatile inventories in clathrate hydrates formed in the primordial nebula.

J. Lunine, D. Cordier, O. Mousis, 2010, Faraday discussions.

Incorporation of argon, krypton and xenon into clathrates on Mars

J. Lunine, T. Swindle, O. Mousis, 2009 .

CLATHRATION OF VOLATILES IN THE SOLAR NEBULA AND IMPLICATIONS FOR THE ORIGIN OF TITAN'S ATMOSPHERE

J. Lunine, Y. Alibert, D. Cordier, 2008, 0810.0308.

Molecular dynamics simulation study of water adsorption on hydroxylated graphite surfaces.

J. Rayez, S. Picaud, Sylvain Picaud, 2006, The journal of physical chemistry. B.

Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. II. Molecular dynamics simulations

B. Demirdjian, S. Picaud, C. Girardet, 2002 .

Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations

P. Jedlovszky, O. Mousis, A. Guilbert-Lepoutre, 2018 .

A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6H6+OH

J. Rayez, J. Rayez, S. Picaud, 2009 .

REMOVAL OF TITAN'S ATMOSPHERIC NOBLE GASES BY THEIR SEQUESTRATION IN SURFACE CLATHRATES

Jr., J. Lunine, J. Waite, 2011, 1108.4830.

Calculations of the mass absorption cross sections for carbonaceous nanoparticles modeling soot

M. Devel, S. Picaud, C. G. Fernández, 2015 .

Molecular dynamics simulations of polarizable nanotubes interacting with water

M. Devel, S. Picaud, F. Moulin, 2005 .

Role of black carbon in the formation of primary organic aerosols: Insights from molecular dynamics simulations

G. Madsen, J. Carrete, M. Devel, 2020 .

Optical properties of soot nanoparticles

M. Devel, S. Picaud, F. Moulin, 2008 .

Influence of Onion-like Carbonaceous Particles on the Aggregation Process of Hydrocarbons

G. Madsen, J. Carrete, M. Devel, 2021, ACS omega.

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

P. Jedlovszky, S. Picaud, 2018, Molecular Simulation.

Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study.

P. Jedlovszky, S. Picaud, P. Hoang, 2008, Physical chemistry chemical physics : PCCP.

Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. I. Neutron diffraction and quasielastic neutron scattering experiments

B. Demirdjian, S. Picaud, C. Girardet, 2002 .

THE TRAPPING OF Ar, Kr, AND Xe IN MARTIAN CLATHRATES AND THE POSSIBILITY OF DETECTING CLATHRATES ON MARS BY SEASONAL CHANGES IN THE Xe/Kr RATIO. T. D. Swin-

J. Lunine, T. Swindle, O. Mousis, 2009 .

Geometry and dynamics of formic and acetic acids adsorbed on ice

S. Picaud, C. Girardet, C. Toubin, 2002 .

Adsorption of acetone molecules on proton ordered ice. A molecular dynamics study

S. Picaud, P. Hoang, 2000 .

Methane clathrates in the solar system.

E. Chassefière, J. Charlou, P. Rousselot, 2015, Astrobiology.

Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times

J. Hynes, R. Lynden-Bell, S. Picaud, 2003 .

Time study of pollutants at the surface of ice at 200 K

S. Picaud, C. Girardet, C. Toubin, 2000 .

Adsorption of small polar molecules as a probe of the surface electric field created by water layers supported by MgO(100): a theoretical study

S. Picaud, C. Girardet, C. Toubin, 1999 .

Formation of Interstellar Complex Polycyclic Aromatic Hydrocarbons: Insights from Molecular Dynamics Simulations of Dehydrogenated Benzene

M. Devel, Zhao Wang, S. Picaud, 2020, The Astrophysical Journal.

A CRYSTAL-based parameterization of carbon atom dynamic polarizabilities to compute optical properties of curved carbonaceous nanostructures

M. Rérat, J. Rayez, M. Devel, 2022, Theoretical Chemistry Accounts.

Adsorption of acetic acid on ice: experiments and molecular dynamics simulations.

P. Mirabel, S. Picaud, S. Le Calvé, 2005, The Journal of chemical physics.

A molecular dynamics study of the structure of water layers adsorbed on MgO(100)

R. Lynden-Bell, S. Picaud, C. Girardet, 1998 .

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

L. Giordano, B. Demirdjian, S. Picaud, 1998 .

ADSORPTION OF WATER ON MGO(100) : A SINGULAR BEHAVIOR

S. Picaud, C. Girardet, P. Hoang, 1998 .

Molecular physisorption on atom-adsorbed unreconstructed (111) silicon surfaces

S. Picaud, C. Girardet, 1991 .

TRANSFER OF A POLLUTANT MOLECULE THROUGH A WATER FILM SUPPORTED BY MgO(100): FREE ENERGY PROFILES

R. Lynden-Bell, S. Picaud, C. Girardet, 1999 .

A CRYSTAL-based parameterization of carbon atom dynamic polarizabilities to compute optical properties of curved carbonaceous nanostructures

M. Rérat, J. Rayez, M. Devel, 2022, Theoretical Chemistry Accounts.

Monolayers of acetone and methanol molecules on ice

S. Picaud, C. Girardet, C. Toubin, 2000 .

Variability of the methane trapping in martian subsurface clathrate hydrates

O. Mousis, V. Ballenegger, S. Picaud, 2008, 0810.4359.

Theoretical study of the monolayer structures of CO adsorbed on NaCl(100)

A. Stone, A. Meredith, S. Picaud, 1993 .

Adsorption of acetaldehyde on ice as seen from computer simulation and infrared spectroscopy measurements.

P. Jedlovszky, S. Picaud, J. Lasne, 2012, Langmuir : the ACS journal of surfaces and colloids.

Dynamics of ice layers deposited on MgO(001): Quasielastic neutron scattering experiments and molecular dynamics simulations

B. Demirdjian, S. Picaud, C. Girardet, 2001 .

He-diffraction investigation of the (1 × 1) CO phase on NaCl(100): a fully quantum study

S. Picaud, C. Girardet, D. Lemoine, 1996 .

Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study

P. Jedlovszky, S. Picaud, M. Szőri, 2014 .

Volatile Trapping in Martian Clathrates

F. Schmidt, J. Lunine, F. Montmessin, 2013 .

Experimental and theoretical studies of the monolayer structure of OCS adsorbed on NaCl(001): Coexistence of orientationally inequivalent phases

H. Weiss, A. Glebov, J. Toennies, 1997 .

Ammonia and water physisorption on a H-passivated Si(111) surface : a study of admolecule motions

C. Ramseyer, S. Picaud, C. Girardet, 1992 .

Adsorption of ortho and para H2 on NaCl(001)

S. Picaud, J. Heidberg, C. Girardet, 1998 .

Volatile Trapping in Martian Clathrates

F. Schmidt, J. Lunine, F. Montmessin, 2012, Space Science Reviews.

Dynamics of TIP5P and TIP4P/ice potentials.

S. Picaud, 2006, The Journal of chemical physics.

A theoretical characterization of the interaction of water with oxidized carbonaceous clusters

J. Rayez, S. Picaud, M. Rayez, 2010 .

Calculation of the adsorption isotherm of formaldehyde on ice by grand canonical Monte Carlo simulation

P. Jedlovszky, S. Picaud, P. Hoang, 2007 .

Interaction of water molecules with defective carbonaceous clusters: An ab initio study

J. Rayez, S. Picaud, M. Rayez, 2010 .

A grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle

P. Jedlovszky, S. Picaud, L. Pártay, 2006 .

Adsorption of phenanthrene on natural snow.

T. Martellini, A. Cincinelli, F. Dominé, 2007, Environmental science & technology.

On the abundances of noble and biologically relevant gases in Lake Vostok, Antarctica.

E. Chassefière, O. Mousis, S. Picaud, 2013, Astrobiology.

Supplementary online material for article, "Adsorption of Organic Molecules on Onion-like Carbons: Insights on the Formation of Interstellar Hydrocarbons"

H. Qi, M. Devel, Zhao Wang, 2018 .

Adsorption of atmospheric oxidants at divacancy sites of graphene: A DFT study

J. Rayez, S. Picaud, M. Rayez, 2013 .

Structure and reactivity of carbon multivacancies in graphene

J. Rayez, S. Picaud, M. Rayez, 2012 .

Free-Energy Profile of Small Solute Molecules at the Free Surfaces of Water and Ice, as Determined by Cavity Insertion Widom Calculations

M. Mezei, P. Jedlovszky, S. Picaud, 2007 .

A new semi-empirical model for the oxidation of polycyclic aromatic hydrocarbon (PAHs) molecules physisorbed on soot. II. Application to the reaction PAH + OH for a series of large PAH molecules

D. Liotard, J. Rayez, S. Picaud, 2011 .

Adsorption of CO and N2 molecules at the surface of solid water. A grand canonical Monte Carlo study.

J. Simon, S. Picaud, J. Salazar, 2020, The Journal of chemical physics.

Molecular dynamics simulations of chloroform on icePresented at the 81st International Bunsen Discussion Meeting on ?Interfacial Water in Chemistry and Biology?, Velen, Germany, September 19?23, 2003.

S. Picaud, P. Hoang, 2004 .

Dependence of the adsorption of halogenated methane derivatives at the ice surface on their chemical structure

P. Jedlovszky, S. Picaud, I. Sumi, 2017 .

Adsorption of Fluorinated Methane Derivatives at the Surface of Ice under Tropospheric Conditions, As Seen from Grand Canonical Monte Carlo Simulations

P. Jedlovszky, S. Picaud, B. Fábián, 2016 .

Adsorption of Chlorinated Methane Derivatives at the Ice Surface: A Grand Canonical Monte Carlo Simulation Study

P. Jedlovszky, S. Picaud, I. Sumi, 2017 .

On the difficulty for finding the orientational geometries of adsorbed monolayers: illustration with the COMgO system

S. Picaud, C. Girardet, P. Hoang, 1996 .

Molecular adsorption on ionic substrates: Characterization of terrace and step sites

S. Picaud, C. Girardet, A. Lakhlifi, 1995 .

Molecular Selectivity of CH4–C2H6 Mixed Hydrates: A GCMC Study

S. Picaud, A. Patt, 2021, ACS Earth and Space Chemistry.

Molecular Selectivity of CO–N2 Mixed Hydrates: Raman Spectroscopy and GCMC Studies

S. Picaud, C. Pétuya, A. Desmedt, 2020, The Journal of Physical Chemistry C.

NH3 physisorption on MgO(100) substrate. Potential calculations revisited

S. Picaud, C. Girardet, A. Lakhlifi, 1993 .

Structure of CO monolayer adsorbed on NaCl(100) from molecular dynamics

A. Meredith, S. Picaud, C. Girardet, 1996 .

The structure of the c(4×2) CO/MgO( 0 0 1 ) monolayer revisited by neutron diffraction

B. Demirdjian, S. Picaud, C. Girardet, 2001 .

Molecule-step interactions in the aggregation of admolecules on ionic substrates

S. Picaud, C. Girardet, S. Briquez, 1995 .

INTERPRETATION OF THE POLARIZATION INFRARED SPECTRUM OF CO2 MONOLAYERS ADSORBED ON IONIC SUBSTRATES

S. Picaud, C. Girardet, A. Lakhlifi, 1995 .

A Comparitive Study of the Geometry of CO2 Monolayers Adsorbed on the Ionic Substrates NaCl and MgO(100)

S. Picaud, C. Girardet, P. Hoang, 1994 .

Geometry of (NH3)n and (H2O)n aggregates adsorbed on well characterized MgO(100) and Si(111)−(1×1)H substrates

S. Picaud, C. Girardet, P. Hoang, 1992 .

Structure of the neopentane monolayer adsorbed on MgO(0 0 1): experiments and calculations

J. Coulomb, S. Picaud, S. Saïdi, 2004 .

Adsorption of Formamide at the Surface of Amorphous and Crystalline Ices under Interstellar and Tropospheric Conditions. A Grand Canonical Monte Carlo Simulation Study.

P. Jedlovszky, S. Picaud, M. Szőri, 2019, The journal of physical chemistry. A.

Low frequency collective vibration modes of the CO2 monolayer adsorbed on the NaCl(100) surface: interpretation of dispersion curves and mode polarizations

S. Picaud, C. Girardet, P. Hoang, 1995 .

Molecular dynamics simulations of the water adsorption around malonic acid aerosol models.

P. Jedlovszky, S. Picaud, Mária Darvas, 2013, Physical chemistry chemical physics : PCCP.

Adsorption of hydroxyacetone on pure ice surfaces.

P. Jedlovszky, S. Picaud, S. Le Calvé, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Molecular dynamics simulation of the adsorption of oxalic acid on an ice surface.

P. Jedlovszky, S. Picaud, Mária Darvas, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Adsorption Isotherm of Formic Acid on the Surface of Ice, as Seen from Experiments and Grand Canonical Monte Carlo Simulation

P. Jedlovszky, J. Crowley, S. Picaud, 2008 .

Comparison between methanol and formaldehyde adsorption on ice: a molecular dynamics study

S. Picaud, B. Collignon, 2004 .

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

S. Picaud, C. Toubin, M. Monnerville, 2007 .

Hydrogen chloride adsorption on large defective PAHs modeling soot surfaces and influence on water trapping: A DFT and AIMD study

L. Martin-Gondre, J. Rayez, S. Picaud, 2019, Chemical Physics.

Dynamics of ice layers adsorbed on a dielectric support

S. Picaud, C. Girardet, P. Hoang, 2002 .

The passage of small molecules through a water film supported by MgO(100): Transfer times from molecular dynamics simulations

S. Picaud, C. Girardet, C. Toubin, 2000 .

The ice-vapor interface and the melting point of ice I(h) for the polarizable POL3 water model.

S. Picaud, I. Gladich, M. Roeselová, 2011, The journal of physical chemistry. A.

Molecular Dynamics Simulations of the Interaction between Water Molecules and Aggregates of Acetic or Propionic Acid Molecules.

P. Jedlovszky, S. Picaud, B. Radola, 2015, The journal of physical chemistry. B.

Water and formic acid aggregates: a molecular dynamics study.

S. Picaud, D. Vardanega, 2014, The Journal of chemical physics.

Water adsorption around oxalic acid aggregates: a molecular dynamics simulation of water nucleation on organic aerosols.

P. Jedlovszky, S. Picaud, Mária Darvas, 2011, Physical chemistry chemical physics : PCCP.

DFT Study of the Formation of Atmospheric Aerosol Precursors from the Interaction between Sulfuric Acid and Benzenedicarboxylic Acid Molecules.

S. Picaud, I. Ortega, B. Radola, 2022, The journal of physical chemistry. A.

Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sites.

J. Rayez, S. Picaud, B. Collignon, 2008, Physical chemistry chemical physics : PCCP.

Bottom-up multi-step approach to study the relations between the structure and the optical properties of carbon soot nanoparticles

M. R. Vanacharla, M. Devel, S. Picaud, 2009 .

Formation of atmospheric molecular clusters from organic waste products and sulfuric acid molecules: a DFT study

R. Ciuraru, S. Picaud, I. Ortega, 2021, Environmental Science: Atmospheres.

A ∼32–70 K FORMATION TEMPERATURE RANGE FOR THE ICE GRAINS AGGLOMERATED BY COMET 67 P/CHURYUMOV–GERASIMENKO

J. Simon, M. Rubin, O. Mousis, 2015, 1504.01678.

A semi-empirical potential model for calculating interactions between large aromatic molecules and graphite surfaces

D. Liotard, J. Rayez, S. Picaud, 2006 .

Water adsorption on oxidized single atomic vacancies present at the surface of small carbonaceous nanoparticles modeling soot.

J. Rayez, S. Picaud, M. Rayez, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Mars cryosphere: A potential reservoir for heavy noble gases?

J. Lunine, F. Montmessin, E. Chassefière, 2012 .

A theoretical investigation into the trapping of noble gases by clathrates on Titan

O. Mousis, V. Ballenegger, S. Picaud, 2008, 0803.2884.

Adsorption of Methylene Fluoride and Methylene Chloride at the Surface of Ice under Tropospheric Conditions: A Grand Canonical Monte Carlo Simulation Study

P. Jedlovszky, S. Picaud, I. Sumi, 2015 .

Clathrate hydrates as a sink of noble gases in Titan's atmosphere

O. Mousis, V. Ballenegger, S. Picaud, 2007, 0708.2158.

Clustering of water molecules on model soot particles: an ab initio study

J. Rayez, S. Picaud, B. Collignon, 2005 .

Adsorption of Methylamine on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study.

P. Jedlovszky, S. Picaud, M. Szőri, 2018, The journal of physical chemistry. A.

Adsorption of Aromatic Hydrocarbon Molecules at the Surface of Ice, As Seen by Grand Canonical Monte Carlo Simulation

P. Jedlovszky, S. Picaud, G. Hantal, 2013 .

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method.

N. N. Medvedev, V. Voloshin, P. Jedlovszky, 2010, The Journal of chemical physics.

Grand canonical Monte Carlo simulation of the adsorption isotherms of water molecules on model soot particles.

P. Jedlovszky, S. Picaud, P. Hoang, 2007, The Journal of chemical physics.

Pressure reversal of general anaesthetics: A possible mechanism from molecular dynamics simulations

P. Jedlovszky, S. Picaud, P. Hoang, 2009 .

A molecular dynamics simulation of the electrical conductivity behaviors of highly concentrated liquid ammoniates NaIalphaNH(3): comparison with experimental measurements.

G. Herlem, S. Picaud, P. Hoang, 2005, The Journal of chemical physics.

Monolayers of ortho-H2, para-H2, para-D2 and normal-H2 adsorbed on NaCl(001) single crystal surfaces

M. Hustedt, S. Picaud, J. Heidberg, 1999 .

Ab initio study of the water adsorption on hydroxylated graphite surfaces

J. Rayez, S. Picaud, Sylvain Picaud, 2005 .

A possible mechanism for pressure reversal of general anaesthetics from molecular simulations

P. Jedlovszky, S. Picaud, P. Hoang, 2007 .

Analysis of Mixed Formic and Acetic Acid Aggregates Interacting With Water: A Molecular Dynamics Simulation Study

P. Jedlovszky, S. Picaud, B. Radola, 2017 .

Comparative Study of the Adsorption of 1- and 2-Propanol on Ice by Means of Grand Canonical Monte Carlo Simulations

S. Picaud, J. Joliat, Théo Lenoir, 2023, ACS Earth and Space Chemistry.

Adsorption of organic compounds at the surface of Enceladus’ ice grains. A grand canonical Monte Carlo simulation study

J. Simon, S. Picaud, A. Patt, 2021, Molecular Simulation.

First-principles study of the interaction between NO and large carbonaceous clusters modeling the soot surface.

J. Rayez, S. Picaud, J. Rubayo-Soneira, 2014, The journal of physical chemistry. A.

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

P. Jedlovszky, S. Picaud, 2014 .

ON THE VOLATILE ENRICHMENTS AND HEAVY ELEMENT CONTENT IN HD189733b

D. Cordier, T. V. Johnson, M. Devel, 2010, 1011.4168.

A Grand Canonical Monte Carlo Study of the N2, CO, and Mixed N2–CO Clathrate Hydrates

J. Simon, S. Picaud, J. Salazar, 2018, The Journal of Physical Chemistry C.

Sensitivity of predicted gas hydrate occupancies on treatment of intermolecular interactions.

O. Mousis, V. Ballenegger, S. Picaud, 2010, The Journal of chemical physics.

IMPACT REGIMES AND POST-FORMATION SEQUESTRATION PROCESSES: IMPLICATIONS FOR THE ORIGIN OF HEAVY NOBLE GASES IN TERRESTRIAL PLANETS

J. Lunine, B. Schmitt, J. Petit, 2010, 1002.4819.

DO CLATHRATE HYDRATES HAVE ANY INFLUENCE ON THE ATMOSPHERE OF MARS

O. Mousis, S. Picaud, Caroline Thomas, 2008 .

Combined elastic neutron scattering experiments and molecular dynamics simulations on the concentrated liquid electrolyte NaI·3.3NH3

B. Lakard, G. Herlem, F. Leclercq, 2003 .

Molecular dynamics study of diffusion of formaldehyde in ice

V. Ballenegger, S. Picaud, C. Toubin, 2006 .