검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Equilibrium and transport properties of CO2+N2O and CO2+NO mixtures: Molecular simulation and equation of state modelling study Lachet V, Creton B, de Bruin T, Bourasseau E, Desbiens N, Wilhelmsen O, Hammer M Fluid Phase Equilibria, 322, 66, 2012 |
| 2 |
DFT simulations of CO2-HF mixture at extreme conditions: Thermodynamic and chemical properties Maillet JB, Bourasseau E, Jomard G Chemical Physics Letters, 507(1-3), 84, 2011 |
| 3 |
Microscopic Calculations of Hugoniot Curves of Neat Triaminotrinitrobenzene (TATB) and of Its Detonation Products Bourasseau E, Maillet JB, Desbiens N, Stoltz G Journal of Physical Chemistry A, 115(39), 10729, 2011 |
| 4 |
Molecular based equation of state for shocked liquid nitromethane Desbiens N, Bourasseau E, Maillet JB, Soulard L Journal of Hazardous Materials, 166(2-3), 1120, 2009 |
| 5 |
Microscopic approaches to liquid nitromethane detonation properties Hervouet A, Desbiens N, Bourasseau E, Maillet JB Journal of Physical Chemistry B, 112(16), 5070, 2008 |
| 6 |
Anisotropic united-atoms (AUA) potential for alcohols Perez-Pellitero J, Bourasseau E, Demachy I, Ridard J, Ungerer P, Mackie AD Journal of Physical Chemistry B, 112(32), 9853, 2008 |
| 7 |
Thermodynamic Behavior of the CO2 + NO2/N2O4 Mixture: A Monte Carlo Simulation Study Bourasseau E, Lachet V, Desbiens N, Maillet JB, Teuler JM, Ungerer P Journal of Physical Chemistry B, 112(49), 15783, 2008 |
| 8 |
Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols - Application to the problems of the 2004 Fluid Simulation Challenge Boutard Y, Ungerer P, Teuler JM, Ahunbay MG, Sabater SF, Perez-Pellitero J, Mackie AD, Bourasseau E Fluid Phase Equilibria, 236(1-2), 25, 2005 |
| 9 |
Measurement and prediction of vapour pressures of 2,6,10,14-telxamethylpentadecane (pristane) - Experimental and Monte Carlo simulation results Bourasseau E, Sawaya T, Mokbel I, Jose J, Ungerer P Fluid Phase Equilibria, 225(1-2), 49, 2004 |
| 10 |
New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties Bourasseau E, Haboudou M, Boutin A, Fuchs AH, Ungerer P Journal of Chemical Physics, 118(7), 3020, 2003 |