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Céline Houriez
Céline Houriez
MINES ParisTech, Centre Thermodynamique des Procédés
Verified email at mines-paristech.fr
Title
Cited by
Cited by
Year
Viscosity of the 1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide ionic liquid from equilibrium and nonequilibrium molecular dynamics
NT Van-Oanh, C Houriez, B Rousseau
Physical Chemistry Chemical Physics 12 (4), 930-936, 2010
942010
Thermodynamic study of the CO2–H2O–NaCl system: Measurements of CO2 solubility and modeling of phase equilibria using Soreide and Whitson, electrolyte CPA and SIT models
S Chabab, P Théveneau, J Corvisier, C Coquelet, P Paricaud, C Houriez, ...
International Journal of Greenhouse Gas Control 91, 102825, 2019
492019
Prediction of nitroxide hyperfine coupling constants in solution from combined nanosecond scale simulations and quantum computations
C Houriez, N Ferré, M Masella, D Siri
The Journal of chemical physics 128 (24), 2008
402008
Isothermal vapor–liquid equilibrium data for the trifluoromethane (R23)+ 2, 3, 3, 3-tetrafluoroprop-1-ene (R1234yf) system at temperatures from 254 to 348 K
H Madani, A Valtz, F Zhang, J El Abbadi, C Houriez, P Paricaud, ...
Fluid Phase Equilibria 415, 158-165, 2016
362016
Vapor–liquid equilibrium and molecular simulation data for carbon dioxide (CO2)+ trans-1, 3, 3, 3-tetrafluoroprop-1-ene (R-1234ze (E)) mixture at temperatures from 283.32 to …
S Wang, R Fauve, C Coquelet, A Valtz, C Houriez, PA Artola, E El Ahmar, ...
International Journal of Refrigeration 98, 362-371, 2019
292019
Simulated solvation of organic ions II: Study of linear alkylated carboxylate ions in water nanodrops and in liquid water. Propensity for air/water interface and convergence to …
C Houriez, M Meot-Ner, M Masella
The Journal of Physical Chemistry B 119 (36), 12094-12107, 2015
242015
Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)
F Göltl, C Houriez, M Guitou, G Chambaud, P Sautet
The Journal of Physical Chemistry C 118 (10), 5374-5382, 2014
242014
Prediction of thermodynamic properties of refrigerant fluids with a new three-parameter cubic equation of state
C Coquelet, J El Abbadi, C Houriez
International Journal of Refrigeration 69, 418-436, 2016
232016
Further insights into the environmental effects on the computed hyperfine coupling constants of nitroxides in aqueous solution
C Houriez, N Ferré, D Siri, M Masella
The Journal of Physical Chemistry B 113 (45), 15047-15056, 2009
232009
Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation
HS Salehi, HM Polat, F de Meyer, C Houriez, C Coquelet, TJH Vlugt, ...
The Journal of Chemical Physics 155 (11), 2021
202021
Structure and spectromagnetic properties of the superoxide radical adduct of DMPO in water: elucidation by theoretical investigations
C Houriez, N Ferré, D Siri, P Tordo, M Masella
The Journal of Physical Chemistry B 114 (36), 11793-11803, 2010
192010
New features of the open source Monte Carlo software brick-CFCMC: Thermodynamic integration and hybrid trial moves
HM Polat, HS Salehi, R Hens, DO Wasik, A Rahbari, F De Meyer, ...
Journal of Chemical Information and Modeling 61 (8), 3752-3757, 2021
162021
Experimental measurements and modelling of vapour-liquid equilibrium of 2, 3, 3, 3-tetrafluoropropene (R-1234yf)+ 1, 1, 1, 2, 2-pentafluoropropane (R-245cb) system
A Valtz, J El Abbadi, C Coquelet, C Houriez
International Journal of Refrigeration 107, 315-325, 2019
142019
Solvation of the guanidinium ion in pure aqueous environments: A theoretical study from an “Ab initio”-based polarizable force field
C Houriez, M Meot-Ner, M Masella
The Journal of Physical Chemistry B 121 (50), 11219-11228, 2017
142017
Simulated solvation of organic ions: Protonated methylamines in water nanodroplets. Convergence toward bulk properties and the absolute proton solvation enthalpy
C Houriez, M Meot-Ner, M Masella
The Journal of Physical Chemistry B 118 (23), 6222-6233, 2014
142014
Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water
C Houriez, M Masella, N Ferré
The Journal of chemical physics 133 (12), 2010
132010
Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts
C Houriez, V Vallet, F Réal, M Masella
The Journal of Chemical Physics 147 (16), 2017
112017
Quantitative evaluation of the aqueous dihydronitroxide nitrogen hyperfine coupling constant from QM/MM//MD computations
C Houriez, N Ferré, M Masella, D Siri
Journal of Molecular Structure: THEOCHEM 898 (1-3), 49-55, 2009
112009
Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution
C Houriez, F Réal, V Vallet, M Mautner, M Masella
The Journal of chemical physics 151 (17), 2019
102019
Physisorbed H2@ Cu (100) surface: Potential and spectroscopy
E Bernard, C Houriez, AO Mitrushchenkov, M Guitou, G Chambaud
The Journal of Chemical Physics 142 (5), 2015
92015
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