| 1 |
Synthetic and theoretical study on proline-catalyzed Knoevenagel condensation in ionic liquid
Wang Y, Shang ZC, Wu TX, Fan JC, Chen X
Journal of Molecular Catalysis A-Chemical, 253(1-2), 212, 2006 |
| 2 |
Computational prediction of condensed phase properties from statistical characterization of molecular surface electrostatic potentials
Politzer P, Murray JS
Fluid Phase Equilibria, 185(1-2), 129, 2001 |
| 3 |
Models for quantum effects in electron transfer: Co(Cp)(2)(+)vertical bar V(CO)(6)(-)
Spears KG, Shang HR
Journal of Physical Chemistry A, 104(12), 2668, 2000 |
| 4 |
Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium
Rabani E, Hetenyi B, Berne BJ, Brus LE
Journal of Chemical Physics, 110(11), 5355, 1999 |
| 5 |
Optimizing electrostatic affinity in ligand-receptor binding : Theory, computation, and ligand properties
Kangas E, Tidor B
Journal of Chemical Physics, 109(17), 7522, 1998 |
| 6 |
Langevin Dipoles Model for Ab-Initio Calculations of Chemical Processes in Solution - Parametrization and Application to Hydration Free-Energies of Neutral and Ionic Solutes and Conformational-Analysis in Aqueous-Solution
Florian J, Warshel A
Journal of Physical Chemistry B, 101(28), 5583, 1997 |
| 7 |
A Fundamental Assumption About Oh- Attack in Phosphate Ester Hydrolysis Is Not Fully Justified
Florian J, Warshel A
Journal of the American Chemical Society, 119(23), 5473, 1997 |
| 8 |
Calculation of Redox Potentials and Pk(A) Values of Hydrated Transition-Metal Cations by a Combined Density-Functional and Continuum Dielectric Theory
Li J, Fisher CL, Chen JL, Bashford D, Noodleman L
Inorganic Chemistry, 35(16), 4694, 1996 |
| 9 |
Quantitative Description of Hydrogen-Bonding in Chloride-Water Clusters
Xantheas SS
Journal of Physical Chemistry, 100(23), 9703, 1996 |
| 10 |
Improving the Continuum Dielectric Approach to Calculating Pk(A)S of Ionizable Groups in Proteins
Demchuk E, Wade RC
Journal of Physical Chemistry, 100(43), 17373, 1996 |
