검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
United atom forcefield for vapor-liquid equilibrium (VLE) properties of cyclic and polycyclic compounds from Monte Carlo simulations Yiannourakou M, Ungerer P, Lachet V, Rousseau B, Teuler JM Fluid Phase Equilibria, 481, 28, 2019 |
| 2 |
Evaluation of Ca2+ Binding Sites in Tacrolimus by Infrared Multiple Photon Dissociation Spectroscopy Masson MAC, Karpfenstein R, de Oliveira-Silva D, Teuler JM, Archirel P, Maitre P, Correra TC Journal of Physical Chemistry B, 122(43), 9860, 2018 |
| 3 |
Classical Force Field for Hydrofluorocarbon Molecular Simulations. Application to the Study of Gas Solubility in Poly(vinylidene fluoride) Lachet V, Teuler JM, Rousseau B Journal of Physical Chemistry A, 119(1), 140, 2015 |
| 4 |
Reduction of Earth Alkaline Metal Salts in THF Solution Studied by Picosecond Pulse Radiolysis Ma J, Archirel P, Schmidhammer U, Teuler JM, Pernot P, Mostafavi M Journal of Physical Chemistry A, 117(51), 14048, 2013 |
| 5 |
Transferable Force Field for Alcohols and Polyalcohols Ferrando N, Lachet V, Teuler JM, Boutin A Journal of Physical Chemistry B, 113(17), 5985, 2009 |
| 6 |
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 |
| 7 |
Low-temperature vapor-liquid equilibria from parallelized molecular dynamics simulations. application to 1-and 2-methylnaphthalene Lisal M, Nezbeda I, Ungerer P, Teuler JM, Rousseau B Journal of Physical Chemistry B, 110(24), 12083, 2006 |
| 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 |
Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. III. Polyaromatic and naphthenoaromatic hydrocarbons Ahunbay MG, Perez-Pellitero J, Contreras-Camacho RO, Teuler JM, Ungerer P, Mackie AD, Lachet V Journal of Physical Chemistry B, 109(7), 2970, 2005 |