Biblio

28 resultats trouvés
Filtres: Auteur is Picaud, Sylvain  [Clear All Filters]
A
Patt A, Simon J-M, Picaud S, J. Salazar M.  2018.  A Grand Canonical Monte Carlo Study of the N-2, CO, and Mixed N-2 - CO Clathrate Hydrates. JOURNAL OF PHYSICAL CHEMISTRY C. 122:18432-18444.
Sumi I, Picaud S, Jedlovszky P.  2017.  Adsorption of Chlorinated Methane Derivatives at the Ice Surface: A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C. 121:7782-7793.
Patt A, Simon J-M, J. Salazar M, Picaud S.  2020.  Adsorption of CO and N-2 molecules at the surface of solid water. A grand canonical Monte Carlo study. JOURNAL OF CHEMICAL PHYSICS. 153:204502.
Sumi I, Fabian B, Picaud S, Jedlovszky P.  2016.  Adsorption of Fluorinated Methane Derivatives at the Surface of Ice under Tropospheric Conditions, As Seen from Grand Canonical Monte Carlo Simulations. JOURNAL OF PHYSICAL CHEMISTRY C. 120:17386-17399.
Kiss B, Picaud S, Szori M, Jedlovszky P.  2019.  Adsorption of Formamide at the Surface of Amorphous and Crystalline Ices under Interstellar and Tropospheric Conditions. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY A. 123:2935-2948.
Picaud S, Jedlovszky P.  2014.  Adsorption of H2O2 at the surface of I-h ice, as seen from grand canonical Monte Carlo simulations. CHEMICAL PHYSICS LETTERS. 600:73-78.
Szentirmai V, Szori M, Picaud S, Jedloyszky P.  2016.  Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C. 120:23480-23489.
Horvath RA, Hantal G, Picaud S, Szori M, Jedlovszky P.  2018.  Adsorption of Methylamine on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY A. 122:3398-3412.
Sumi I, Picaud S, Jedlovszky P.  2015.  Adsorption of Methylene Fluoride and Methylene Chloride at the Surface of Ice under Tropospheric Conditions: A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C. 119:17243-17252.
Joliat J, Patt A, Simon JMarc, Picaud S.  2022.  Adsorption of organic compounds at the surface of Enceladus' ice grains. A grand canonical Monte Carlo simulation study. MOLECULAR SIMULATION. 48:19-30.
Qi H, Picaud S, Devel M, Liang E, Wang Z.  2018.  Adsorption of Organic Molecules on Onion-like Carbons: Insights on the Formation of Interstellar Hydrocarbons. ASTROPHYSICAL JOURNAL. 867:133.
Fabian B, Picaud S, Jedlovszky P, Guilbert-Lepoutre A, Mousis O.  2018.  Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations. ACS EARTH AND SPACE CHEMISTRY. 2:521-531.
Radola B, Picaud S, Vardanega D, Jedlovszky P.  2017.  Analysis of Mixed Formic and Acetic Acid Aggregates Interacting With Water: A Molecular Dynamics Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C. 121:13863-13875.
D
Sumi I, Picaud S, Jedlovszky P.  2017.  Dependence of the adsorption of halogenated methane derivatives at the ice surface on their chemical structure. JOURNAL OF MOLECULAR LIQUIDS. 245:17-26.
Radola B, Picaud S, Ortega IKenneth.  2022.  DFT Study of the Formation of Atmospheric Aerosol Precursors from the Interaction between Sulfuric Acid and Benzenedicarboxylic Acid Molecules. JOURNAL OF PHYSICAL CHEMISTRY A. 126:1211-1220.
E
Fabian B, Darvas M, Picaud S, Sega M, Jedlovszky P.  2015.  The effect of anaesthetics on the properties of a lipid membrane in the biologically relevant phase: a computer simulation study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 17:14750-14760.
F
Hanine M, Meng Z, Lu S, Xie P, Picaud S, Devel M, Wang Z.  2020.  Formation of Interstellar Complex Polycyclic Aromatic Hydrocarbons: Insights from Molecular Dynamics Simulations of Dehydrogenated Benzene. ASTROPHYSICAL JOURNAL. 900:188.
H
Radola B, Martin-Gondre L, Picaud S, Rayez M-T, Rayez J-C.  2019.  Hydrogen chloride adsorption on large defective PAHs modeling soot surfaces and influence on water trapping: A DFT and AIMD study. CHEMICAL PHYSICS. 523:18-27.
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Zhou X, Meng Z, Picaud S, Devel M, Carrete J, Madsen GKH, Zhou Y, Wang Z.  2021.  Influence of Onion-like Carbonaceous Particles on the Aggregation Process of Hydrocarbons. ACS OMEGA. 6:27898-27904.
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Mousis O, Simon J-M, Bellat J-P, Schmidt F, Bouley S, Chassefiere E, Sautter V, Quesnel Y, Picaud S, Lectez S.  2016.  Martian zeolites as a source of atmospheric methane. ICARUS. 278:1-6.
Mousis O, Chassefiere E, Holm NG, Bouquet A, Waite JHunter, Geppert WDietrich, Picaud S, Aikawa Y, Ali-Dib M, Charlou J-L et al..  2015.  Methane Clathrates in the Solar System. ASTROBIOLOGY. 15:308-326.
Radola B, Picaud S, Vardanega D, Jedlovszky P.  2015.  Molecular Dynamics Simulations of the Interaction between Water Molecules and Aggregates of Acetic or Propionic Acid Molecules. JOURNAL OF PHYSICAL CHEMISTRY B. 119:15662-15674.
Patt A, Picaud S.  2021.  Molecular Selectivity of CH4-C2H6 Mixed Hydrates: A GCMC Study. ACS EARTH AND SPACE CHEMISTRY. 5:1782-1791.
Picaud S, Jedlovszky P.  2019.  Molecular-scale simulations of organic compounds on ice: application to atmospheric and interstellar sciences. MOLECULAR SIMULATION. 45:403-416.
Korcsok K, Szori M, Fabian B, Picaud S, Jedloyszky P, Viskolcz B.  2018.  Multiscale Modeling of Interfacial Oxidation Mechanism at Air/Organic Interface: Reactions of CH2=CH-Terminated Self-Assembled Monolayer with OH center dot, O-3, and HO2 center dot. JOURNAL OF PHYSICAL CHEMISTRY C. 122:9886-9898.

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