Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised

DOI10.1007/978-3-540-36183-1_37MaRDI QIDQ4643555zbMATH OpenOpenAlexFDO

Authors Thorsten Schnabel, Jadran Vrabec, Hans Hasse

Publication date 24 May 2018

Published in High Performance Computing in Science and Engineering ’06 (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-540-36183-1_37

zbMATH Keywords

thermophysical propertieshydrogen bonding fluids

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• Fast parallel algorithms for short-range molecular dynamics
• High Performance Computing in Engineering and Science

Cited in

(1)

• Theoretical prediction of thermal diffusion in water-methanol, water-ethanol, and water-isopropanol mixtures using the PC-SAFT equation of state

Describes a project that uses

Uses Software

• GAMESS

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