화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Density functional solvation model based on CM2 atomic charges (vol 109, pg 9117, 1998)
Zhu TH, Li JB, Hawkins GD, Cramer CJ, Truhlar DG
Journal of Chemical Physics, 113(9), 3930, 2000
2 Prediction of vapor pressures from self-solvation free energies calculated by the SM5 series of universal solvation models
Winget P, Hawkins GD, Cramer CJ, Truhlar DG
Journal of Physical Chemistry B, 104(19), 4726, 2000
3 Density functional solvation model based on CM2 atomic charges (vol 109, pg 9117, 1998)
Zhu TH, Li J, Hawkins GD, Cramer CJ, Truhlar DG
Journal of Chemical Physics, 111(12), 5624, 1999
4 Density functional solvation model based on CM2 atomic charges
Zhu TH, Li JB, Hawkins GD, Cramer CJ, Truhlar DG
Journal of Chemical Physics, 109(20), 9117, 1998
5 Universal quantum mechanical model for solvation free energies based on gas-phase geometries
Hawkins GD, Cramer CJ, Truhlar DG
Journal of Physical Chemistry B, 102(17), 3257, 1998
6 Parametrized Model for Aqueous Free-Energies of Solvation Using Geometry-Dependent Atomic Surface Tensions with Implicit Electrostatics
Hawkins GD, Cramer CJ, Truhlar DG
Journal of Physical Chemistry B, 101(36), 7147, 1997
7 Model for Aqueous Solvation Based on Class-IV Atomic Charges and First Solvation Shell Effects
Chambers CC, Hawkins GD, Cramer CJ, Truhlar DG
Journal of Physical Chemistry, 100(40), 16385, 1996
8 Parametrized Models of Aqueous Free-Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium
Hawkins GD, Cramer CJ, Truhlar DG
Journal of Physical Chemistry, 100(51), 19824, 1996