| 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 | 94 | 2010 |
| 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 | 59 | 2019 |
| 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 | 40 | 2008 |
| 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 | 37 | 2016 |
| 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 | 30 | 2019 |
| 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 | 24 | 2015 |
| 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 | 24 | 2014 |
| 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 | 23 | 2016 |
| 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 | 23 | 2009 |
| 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 | 21 | 2021 |
| 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 | 21 | 2021 |
| 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 | 19 | 2010 |
| 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 | 15 | 2019 |
| 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 | 15 | 2017 |
| 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 | 14 | 2014 |
| 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 | 14 | 2010 |
| Experimental measurements and modelling of vapour− liquid equilibria for four mixtures of 2, 3, 3, 3− tetrafluoropropene (R1234yf) with 1, 1, 1, 2− tetrafluoroethane (R134a) or … J El Abbadi, C Coquelet, A Valtz, C Houriez International Journal of Refrigeration 140, 172-185, 2022 | 11 | 2022 |
| 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 | 11 | 2019 |
| 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 | 11 | 2017 |
| 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 | 11 | 2009 |
