검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
Charge distributions in water and ion-water clusters Rashin AA, Topol IA, Tawa GJ, Burt SK Chemical Physics Letters, 335(3-4), 327, 2001 |
| 2 |
Quantum free-energy calculations: A three-dimensional test case (vol 97, pg 3668, 1992) Topper RQ, Tawa GJ, Truhlar DG Journal of Chemical Physics, 113(9), 3930, 2000 |
| 3 |
Acidity of organic molecules in the gas phase and in aqueous solvent Topol IA, Tawa GJ, Caldwell RA, Eissenstat MA, Burt SK Journal of Physical Chemistry A, 104(42), 9619, 2000 |
| 4 |
Quantum chemical studies of reactions of the cyclic disulfides with the zinc finger domains in the HIV-1 nucleocapsid protein (NCp7) Topol IA, Nemukhin AV, Chao M, Iyer LK, Tawa GJ, Burt SK Journal of the American Chemical Society, 122(29), 7087, 2000 |
| 5 |
On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model Topol IA, Tawa GJ, Burt SK, Rashin AA Journal of Chemical Physics, 111(24), 10998, 1999 |
| 6 |
Calculation of the aqueous solvation free energy of the proton Tawa GJ, Topol IA, Burt SK, Caldwell RA, Rashin AA Journal of Chemical Physics, 109(12), 4852, 1998 |
| 7 |
Calculation of relative binding free energies of peptidic inhibitors to HIV-1 protease and its I84V mutant Tawa GJ, Topol IA, Burt SK, Erickson JW Journal of the American Chemical Society, 120(34), 8856, 1998 |
| 8 |
Calculation of absolute and relative acidities of substituted imidazoles in aqueous solvent Topol IA, Tawa GJ, Burt SK, Rashin AA Journal of Physical Chemistry A, 101(51), 10075, 1997 |
| 9 |
Calculation of a Reaction-Path for KOH Catalyzed Ring-Opening Polymerization of Hexamethylcyclotrisiloxane Kress JD, Leung PC, Tawa GJ, Hay PJ Journal of the American Chemical Society, 119(8), 1954, 1997 |
| 10 |
Solvation Free-Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density-Functional Theory for the Solute Tawa GJ, Martin RL, Pratt LR, Russo TV Journal of Physical Chemistry, 100(5), 1515, 1996 |