| 1 |
A universal solvation model based on class IV charges and the intermediate neglect of differential overlap for the spectroscopy molecular orbital method
Li JB, Zhu TH, Cramer CJ, Truhlar DG
Journal of Physical Chemistry A, 104(11), 2178, 2000 |
| 2 |
Nonlinear, nonpolar solvation dynamics in water: The roles of electrostriction and solvent translation in the breakdown of linear response
Aherne D, Tran V, Schwartz BJ
Journal of Physical Chemistry B, 104(22), 5382, 2000 |
| 3 |
Study of hydrophilic interactions between polyatomic sheets in water
Koga K, Zeng XC, Tanaka H
Fluid Phase Equilibria, 144(1-2), 377, 1998 |
| 4 |
A modification of the generalized Born theory for improved estimates of solvation energies and pK shifts
Jayaram B, Liu Y, Beveridge DL
Journal of Chemical Physics, 109(4), 1465, 1998 |
| 5 |
Cooperative effects in the structuring of fluoride water clusters : Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent
Bryce RA, Vincent MA, Malcolm NOJ, Hillier IH, Burton NA
Journal of Chemical Physics, 109(8), 3077, 1998 |
| 6 |
Mechanisms of solvation dynamics of polyatomic solutes in polar and nondipolar solvents : A simulation study
Ladanyi BM, Maroncelli M
Journal of Chemical Physics, 109(8), 3204, 1998 |
| 7 |
Solvation dynamics of an excess electron in methanol and water
Mosyak AA, Prezhdo OV, Rossky PJ
Journal of Chemical Physics, 109(15), 6390, 1998 |
| 8 |
New class IV charge model for extracting accurate partial charges from wave functions
Li JB, Zhu TH, Cramer CJ, Truhlar DG
Journal of Physical Chemistry A, 102(10), 1820, 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 |
Solvation effects on zwitterion formation
Hall NE, Smith BJ
Journal of Physical Chemistry A, 102(22), 3985, 1998 |
