Shells theory of solvation and the long-range Born correction

Explicitly Representing the Solvation Shell in Continuum Solvent Calculations

(2009) Eirik F. da Silva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Predictions of Hydration Free Energies from All-Atom Molecular Dynamics Simulations†

(2009) David L. Mobley et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A universal approach for continuum solvent pK a calculations: are we there yet?

(2009) Junming Ho et al.   THEORETICAL CHEMISTRY ACCOUNTS

Facile Nucleophilic Fluorination Reactions Usingtert-Alcohols as a Reaction Medium:  Significantly Enhanced Reactivity of Alkali Metal Fluorides and Improved Selectivity

(2008) Dong Wook Kim et al.   JOURNAL OF ORGANIC CHEMISTRY

Performance of SM8 on a Test To Predict Small-Molecule Solvation Free Energies

(2008) Adam C. Chamberlin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

(2008) Vyacheslav S. Bryantsev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First Solvation Shell Effects on Ionic Chemical Reactions: New Insights for Supramolecular Catalysis

(2008) Josefredo R. Pliego   JOURNAL OF PHYSICAL CHEMISTRY B