Comparison of Force Fields on the Basis of Various Model Approaches-How To Design the Best Model for the [CnMIM][NTf2] Family of Ionic Liquids

Microheterogeneities in Ionic-Liquid-Methanol Solutions Studied by FTIR Spectroscopy, DFT Calculations and Molecular Dynamics Simulations

(2012) Christian Roth et al.   CHEMPHYSCHEM

The Effect of Neutral Ion Aggregate Formation on the Electrical Conductivity of an Ionic Liquid and its Mixtures with Chloroform

(2012) Thorsten Köddermann et al.   CHEMPHYSCHEM

Liquid–liquid equilibria of dipropylene glycol dimethyl ether and water by molecular dynamics

(2011) Thorsten Köddermann et al.   FLUID PHASE EQUILIBRIA

Assessment of numerical optimization algorithms for the development of molecular models

(2010) Marco Hülsmann et al.   COMPUTER PHYSICS COMMUNICATIONS

Automated force field optimisation of small molecules using a gradient-based workflow package

(2010) Marco Hülsmann et al.   MOLECULAR SIMULATION

GROW: A gradient-based optimization workflow for the automated development of molecular models

(2009) Marco Hülsmann et al.   COMPUTER PHYSICS COMMUNICATIONS

On the Validity of Stokes-Einstein and Stokes-Einstein-Debye Relations in Ionic Liquids and Ionic-Liquid Mixtures

(2008) Thorsten Köddermann et al.   CHEMPHYSCHEM

Ionic Liquids: Dissecting the Enthalpies of Vaporization

(2008) Thorsten Köddermann et al.   CHEMPHYSCHEM