| 1 |
Thermodynamic, structural, and mechanical properties of fluoropolymers from molecular dynamics simulation: Comparison of force fields
Tamir E, Sidess A, Srebnik S
Chemical Engineering Science, 205, 332, 2019 |
| 2 |
Atomistic and coarse-grained modeling of polyethyleneimine
Beu TA, Ailenei AE, Farcas A
Chemical Physics Letters, 714, 94, 2019 |
| 3 |
Experimental and molecular dynamics study of the ionic conductivity in aqueous LiCl electrolytes
Yllo A, Zhang C
Chemical Physics Letters, 729, 6, 2019 |
| 4 |
Molecular simulation studies on refrigerants past - present - future
Raabe G
Fluid Phase Equilibria, 485, 190, 2019 |
| 5 |
Thermodynamics of supersaturated steam: Towards an equation of state
Nezbeda I, Moucka F
Fluid Phase Equilibria, 484, 114, 2019 |
| 6 |
Improvements and limitations of Mie lambda-6 potential for prediction of saturated and compressed liquid viscosity
Messerly RA, Anderson MC, Razavi SM, Elliott JR
Fluid Phase Equilibria, 483, 101, 2019 |
| 7 |
Evaluation of the predictive capability of ionic liquid force fields for CH4, CO2, NH3, and SO2 phase equilibria
Kapoor U, Banerjee A, Shah JK
Fluid Phase Equilibria, 492, 161, 2019 |
| 8 |
Systematic parameterization procedure to develop force fields for molecular fluids using explicit water
Nunez-Rojas E, Garcia-Melgarejo V, de la Luz AP, Alejandre J
Fluid Phase Equilibria, 490, 1, 2019 |
| 9 |
Systematic comparison of force fields for molecular dynamic simulation of Au(111)/Ionic liquid interfaces
Wang RX, Bi S, Presser V, Feng G
Fluid Phase Equilibria, 463, 106, 2018 |
| 10 |
Recent progress in the molecular simulation of thermodynamic properties of aqueous electrolyte solutions
Smith WR, Nezbeda I, Kolafa J, Moucka F
Fluid Phase Equilibria, 466, 19, 2018 |
