| 1 |
Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method
Fang YH, Wei GF, Liu ZP
Catalysis Today, 202, 98, 2013 |
| 2 |
Predicting infinite dilution activity coefficients with the group contribution solvation model: an extension of its applicability to aqueous systems
Nanu DE, Mennucci B, de Loos TW
Fluid Phase Equilibria, 221(1-2), 127, 2004 |
| 3 |
Solvent properties of liquid and supercritical hydrofluorocarbons
Abbott AP, Eardley CA
Journal of Physical Chemistry B, 103(13), 2504, 1999 |
| 4 |
Specific solvation effects on structures and properties of isocytosine-cytosine complexes : A theoretical ab initio study
Zhanpeisov NU, Leszczynski J
Journal of Physical Chemistry B, 102(45), 9109, 1998 |
| 5 |
Rotational relaxation of ionic molecules in electrolyte solutions. Anisotropy relaxation and molecular dynamics study
Balabai N, Kurnikova MG, Coalson RD, Waldeck DH
Journal of the American Chemical Society, 120(31), 7944, 1998 |
| 6 |
Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic-Solutions with a Unified Integral-Equation Method - Theoretical Bases, Computational Implementation, and Numerical Applications
Mennucci B, Cances E, Tomasi J
Journal of Physical Chemistry B, 101(49), 10506, 1997 |
| 7 |
(1,2)-Acyloxy Shifts in Radicals - A Computational Investigation of Substituent and Solvent Effects
Zipse H
Journal of the American Chemical Society, 119(5), 1087, 1997 |
| 8 |
Incorporation of Solvent Effects into Density-Functional Calculations of Molecular-Energies and Geometries
Andzelm J, Kolmel C, Klamt A
Journal of Chemical Physics, 103(21), 9312, 1995 |
| 9 |
Theoretical Calculation of the Water Ion Product K-W
Tawa GJ, Pratt LR
Journal of the American Chemical Society, 117(5), 1625, 1995 |
