Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set

Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

(2016) Ariën S. Rustenburg et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

COSMO-RSC: Second-Order Quasi-Chemical Theory Recovering Local Surface Correlation Effects

(2016) A. Klamt   JOURNAL OF PHYSICAL CHEMISTRY A

A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach

(2015) A. Klamt et al.   Journal of Chemical Theory and Computation

Calculation of Solvation Free Energies with DCOSMO-RS

(2015) Andreas Klamt et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Consideration of dimerization for property prediction with COSMO-RS-DARE

(2014) Tobias Sachsenhauser et al.   FLUID PHASE EQUILIBRIA

Blind prediction test of free energies of hydration with COSMO-RS

(2010) Andreas Klamt et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”

(2009) Andreas Klamt et al.   ACCOUNTS OF CHEMICAL RESEARCH

Prediction of the Free Energy of Hydration of a Challenging Set of Pesticide-Like Compounds†

(2009) Andreas Klamt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probing carboxylate Gibbs transfer energies via liquid|liquid transfer at triple phase boundary electrodes: ion-transfer voltammetry versus COSMO-RS predictions

(2008) Stuart M. MacDonald et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS