| 1 |
Thermodynamic analysis of the solvent effect on tautomerization of acetylacetone: An ab initio approach
Ishida T, Hirata F, Kato S
Journal of Chemical Physics, 110(8), 3938, 1999 |
| 2 |
Theoretical study for water structure at highly ordered surface : Effect of surface structure
Akiyama R, Hirata F
Journal of Chemical Physics, 108(12), 4904, 1998 |
| 3 |
Dynamics of solvated ion in polar liquids : An interaction-site-model description
Chong SH, Hirata F
Journal of Chemical Physics, 108(17), 7339, 1998 |
| 4 |
XSOL, a combined integral equation (XRISM) and quantum mechanical solvation model: Free energies of hydration and applications to solvent effects on organic equilibria
Shao L, Yu HA, Gao JL
Journal of Physical Chemistry A, 102(50), 10366, 1998 |
| 5 |
Integral equation and ab initio study of the effect of solvation on anomeric equilibria in aqueous solution : Application to 4,6-dimethyl-2-methoxytetrahydropyran
Maw SA, Bryce RA, Hall RJ, Masters AJ, Hiller IH
Journal of Physical Chemistry B, 102(21), 4089, 1998 |
| 6 |
Molecular-Dynamics Simulations and Integral-Equations Studies of Model Systems for Aqueous Mixtures of Small Alcohols
Kvamme B
Fluid Phase Equilibria, 131(1-2), 1, 1997 |
| 7 |
Nonlinear Electrical Potential Fluctuations of Solvent Around Solutes - An Integral-Equation Study
Chong SH, Hirata F
Journal of Chemical Physics, 106(12), 5225, 1997 |
| 8 |
Solvent-Induced Interactions Between Hydrophobic and Hydrophilic Polyatomic Sheets in Water and Hypothetical Nonpolar Water
Koga K, Zeng XC, Tanaka H
Journal of Chemical Physics, 106(23), 9781, 1997 |
| 9 |
An integral equation study for non-linear electrical potential fluctuations of solvent around solute
Chong SH, Hirata F
Journal of Electroanalytical Chemistry, 438(1-2), 245, 1997 |
| 10 |
Ion Hydration - Thermodynamic and Structural-Analysis with an Integral-Equation Theory of Liquids
Chong SH, Hirata F
Journal of Physical Chemistry B, 101(16), 3209, 1997 |
