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List of works by Gabriele Raabe

Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies

scientific article published on 28 November 2019

Comparison of RESP and IPolQ-Mod Partial Charges for Solvation Free Energy Calculations of Various Solute/Solvent Pairs.

scientific article published on 10 November 2017

Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces

scientific article published on 02 November 2020

Molecular dynamics simulation of the dielectric constant of water: The effect of bond flexibility ⬇️

scientific article published on June 21, 2011

Molecular dynamics simulation of the effect of bond flexibility on the transport properties of water.

scientific article published in September 2012

Molecular dynamics studies on liquid-phase dynamics and structures of four different fluoropropenes and their binary mixtures with R-32 and CO2.

scientific article published on 20 December 2013

Molecular modeling of fluoropropene refrigerants.

scientific article published on 4 May 2012

Molecular simulation data for the vapor-liquid phase equilibria of binary mixtures of HFO-1123 with R-32, R-1234yf, R-1234ze(E), R-134a and CO2 and their modelling by the PCP-SAFT equation of state

scientific article published on 24 May 2019

Molecular simulation of the shear viscosity and the self-diffusion coefficient of mercury along the vapor-liquid coexistence curve

scientific article published on 01 July 2005

Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom

scientific article

Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation.

scientific article

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