| 1 |
Ion pairing and preferential solvation of butylmethylimidazolium chloride ion pair in water-ethanol mixtures by using molecular dynamics simulations
Meti MD, Dixit M, Hajari T, Tembe BL
Chemical Physics Letters, 720, 107, 2019 |
| 2 |
Molecular dynamics simulation of liquid-vapor phase diagrams of metals modeled using modified empirical pair potentials
Ramana ASV
Fluid Phase Equilibria, 361, 181, 2014 |
| 3 |
Adiabatic nuclear and electronic sampling Monte Carlo simulations in the Gibbs ensemble: Application to polarizable force fields for water
Chen B, Potoff JJ, Siepmann JI
Journal of Physical Chemistry B, 104(10), 2378, 2000 |
| 4 |
Free energies of solvation with quantum mechanical interaction energies from classical mechanical simulations
Wood RH, Yezdimer EM, Sakane S, Barriocanal JA, Doren DJ
Journal of Chemical Physics, 110(3), 1329, 1999 |
| 5 |
Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations
Martinez JM, Pappalardo RR, Marcos ES
Journal of Chemical Physics, 110(3), 1669, 1999 |
| 6 |
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
Bukowski R, Sadlej J, Jeziorski B, Jankowski P, Szalewicz K
Journal of Chemical Physics, 110(8), 3785, 1999 |
| 7 |
Molecular dynamics study of water-acetonitrile mixtures
Mountain RD
Journal of Physical Chemistry A, 103(50), 10744, 1999 |
| 8 |
Molecular dynamics simulations of 1,2-dimethoxyethane in aqueous solution: Influence of the water potential
Bedrov D, Smith GD
Journal of Physical Chemistry B, 103(18), 3791, 1999 |
| 9 |
Constructing ab initio force fields for molecular dynamics simulations
Liu YP, Kim K, Berne BJ, Friesner RA, Rick SW
Journal of Chemical Physics, 108(12), 4739, 1998 |
| 10 |
A molecular-orbital derived polarization potential for liquid water
Gao JL
Journal of Chemical Physics, 109(6), 2346, 1998 |
