| 1 |
Determination of Henry's law constants through transition matrix Monte Carlo simulation
Cichowski EC, Schmidt TR, Errington JR
Fluid Phase Equilibria, 236(1-2), 58, 2005 |
| 2 |
The chemical meaning of the standard free energy of transfer: Use of van der Waals' equation of state to unravel the interplay between free volume, volume entropy, and the role of standard states
Vitha MF, Carr PW
Journal of Physical Chemistry B, 104(22), 5343, 2000 |
| 3 |
A pseudobond approach to combining quantum mechanical and molecular mechanical methods
Zhang YK, Lee TS, Yang WT
Journal of Chemical Physics, 110(1), 46, 1999 |
| 4 |
Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model
Banks JL, Kaminski GA, Zhou RH, Mainz DT, Berne BJ, Friesner RA
Journal of Chemical Physics, 110(2), 741, 1999 |
| 5 |
Size dependence of transfer free energies: A hard-sphere-chain-based formalism
Shimizu S, Ikeguchi M, Nakamura S, Shimizu K
Journal of Chemical Physics, 110(6), 2971, 1999 |
| 6 |
Solvent effects on the barrier to C-N bond rotation in N,N-dimethylaminoacrylonitrile
Rablen PR, Miller DA, Bullock VR, Hutchinson PH, Gorman JA
Journal of the American Chemical Society, 121(1), 218, 1999 |
| 7 |
Solvent effects on the barrier to C-N bond rotation in N,N-dimethylaminoacrylonitrile: Modeling by reaction field theory and by Monte Carlo simulations
Rablen PR, Pearlman SA, Miller DA
Journal of the American Chemical Society, 121(1), 227, 1999 |
| 8 |
Cavity size in reaction field theory
Zhan CG, Chipman DM
Journal of Chemical Physics, 109(24), 10543, 1998 |
| 9 |
Prototropic equilibria in 4-thiouracil : A combined spectroscopic and ab initio SCF-MO investigation
Rubin YV, Morozov Y, Venkateswarlu D, Leszczynski J
Journal of Physical Chemistry A, 102(12), 2194, 1998 |
| 10 |
Refinement and parametrization of COSMO-RS
Klamt A, Jonas V, Burger T, Lohrenz JCW
Journal of Physical Chemistry A, 102(26), 5074, 1998 |
