ms2: A molecular simulation tool for thermodynamic properties, release 3.0 G Rutkai, A Köster, G Guevara-Carrion, T Janzen, M Schappals, ... Computer Physics Communications 221, 343-351, 2017 | 90 | 2017 |
ms2: A molecular simulation tool for thermodynamic properties, release 4.0 R Fingerhut, G Guevara-Carrion, I Nitzke, D Saric, J Marx, K Langenbach, ... Computer Physics Communications 262, 107860, 2021 | 50 | 2021 |
Interfacial and bulk properties of vapor-liquid equilibria in the system toluene+ hydrogen chloride+ carbon dioxide by molecular simulation and density gradient theory+ PC-SAFT S Werth, M Kohns, K Langenbach, M Heilig, M Horsch, H Hasse Fluid Phase Equilibria 427, 219-230, 2016 | 44 | 2016 |
Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure M Kohns, S Reiser, M Horsch, H Hasse The Journal of chemical physics 144 (8), 2016 | 43 | 2016 |
Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures AJ Haslam, A González-Pérez, S Di Lecce, SH Khalit, FA Perdomo, ... Journal of Chemical & Engineering Data 65 (12), 5862-5890, 2020 | 36 | 2020 |
Dielectric constant and density of aqueous alkali halide solutions by molecular dynamics: A force field assessment D Saric, M Kohns, J Vrabec The Journal of Chemical Physics 152 (16), 2020 | 30 | 2020 |
Thermophysical properties of solutions of iron (III) nitrate-nonahydrate in mixtures of ethanol and water A Keller, I Wlokas, M Kohns, H Hasse Journal of Chemical & Engineering Data 65 (7), 3519-3527, 2020 | 27 | 2020 |
Activities in aqueous solutions of the alkali halide salts from molecular simulation M Kohns, M Schappals, M Horsch, H Hasse Journal of Chemical & Engineering Data 61 (12), 4068-4076, 2016 | 22 | 2016 |
Static and dynamic wetting behavior of drops on impregnated structured walls by molecular dynamics simulation S Becker, M Kohns, HM Urbassek, M Horsch, H Hasse The Journal of Physical Chemistry C 121 (23), 12669-12683, 2017 | 21 | 2017 |
Numerical study of the evaporation and thermal decomposition of a single iron (III) nitrate nonahydrate/ethanol droplet P Narasu, A Keller, M Kohns, H Hasse, E Gutheil International Journal of Thermal Sciences 170, 107133, 2021 | 19 | 2021 |
A Force Field for Poly(oxymethylene) Dimethyl Ethers (OMEn) A Kulkarni, EJ García, A Damone, M Schappals, S Stephan, M Kohns, ... Journal of Chemical Theory and Computation 16 (4), 2517-2528, 2020 | 19 | 2020 |
Thermophysical Properties of Mixtures of Titanium(IV) Isopropoxide (TTIP) and p-Xylene A Keller, I Wlokas, M Kohns, H Hasse Journal of Chemical & Engineering Data 65 (2), 869-876, 2020 | 19 | 2020 |
Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids M Kohns, G Lazarou, S Kournopoulos, E Forte, FA Perdomo, G Jackson, ... Physical Chemistry Chemical Physics 22 (27), 15248-15269, 2020 | 19 | 2020 |
Relative permittivity of dipolar model fluids from molecular simulation and from the co-oriented fluid functional equation for electrostatic interactions K Langenbach, M Kohns Journal of Chemical & Engineering Data 65 (3), 980-986, 2019 | 16 | 2019 |
Activity coefficients from molecular simulations using the OPAS method M Kohns, M Horsch, H Hasse The Journal of Chemical Physics 147 (14), 2017 | 16 | 2017 |
Solid-liquid equilibria in mixtures of iron (III) nitrate nonahydrate and ethanol or 1-propanol A Keller, I Wlokas, M Kohns, H Hasse Fluid Phase Equilibria 536, 112987, 2021 | 15 | 2021 |
Molecular simulation study of dielectric constants of pure fluids and mixtures M Kohns Fluid Phase Equilibria 506, 112393, 2020 | 13 | 2020 |
Application of the Pitzer model for describing the evaporation of seawater A Keller, J Burger, H Hasse, M Kohns Desalination 503, 114866, 2021 | 12 | 2021 |
Thermodynamically rigorous description of the open circuit voltage of redox flow batteries N Hayer, M Kohns Journal of The Electrochemical Society 167 (11), 110516, 2020 | 12 | 2020 |
Molecular simulation study of the CO2-N2O analogy M Kohns, S Werth, M Horsch, E von Harbou, H Hasse Fluid Phase Equilibria 442, 44-52, 2017 | 12 | 2017 |