Michael Schappals

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="mml56" display="inline" overflow="scroll" altimg="si19.gif"><mml:mi>m</mml:mi><mml:mi>s</mml:mi><mml:mn>2</mml:mn></mml:math>: A molecular simulation tool for thermodynamic properties, release 3.0

Gábor Rutkai, Andreas M. Köster, Gabriela Guevara‐Carrion et al. · Computer Physics Communications · 2017 · 88 citations · Full text

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

Michael Schappals, Andreas Mecklenfeld, Leif C. Kröger et al. · Journal of Chemical Theory and Computation · 2017 · 74 citations

Engineering, Experimental Thermodynamics, Computational Chemistry +20

Activities in Aqueous Solutions of the Alkali Halide Salts from Molecular Simulation

Maximilian Kohns, Michael Schappals, Martin Horsch et al. · Journal of Chemical & Engineering Data · 2016 · 25 citations

Engineering, Ion Models, Computational Chemistry +19

Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers

Michael Schappals, Tanja Breug-Nissen, Kai Langenbach et al. · Journal of Chemical & Engineering Data · 2017 · 24 citations

A Force Field for Poly(oxymethylene) Dimethyl Ethers (OME <i>n</i> )

Aditya Kulkarni, Edder J. García, Angelo Damone et al. · Journal of Chemical Theory and Computation · 2020 · 17 citations