Structural and dynamical properties predicted by reactive force fields simulations for four common pure fluids at liquid and gaseous non-reactive conditions
Author:
Affiliation:
1. Department of Chemical Engineering, University College London, London, UK
2. School of Earth Sciences, Ohio State University, Columbus, OH, USA
Funder
Basic Energy Sciences
Marie Curie Career Integration
Marie Curie Career Integration Grant
Publisher
Informa UK Limited
Subject
Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry
Link
https://www.tandfonline.com/doi/pdf/10.1080/08927022.2018.1455005
Reference83 articles.
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3. Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes
4. Monte Carlo Calculations for Alcohols and Their Mixtures with Alkanes. Transferable Potentials for Phase Equilibria. 5. United-Atom Description of Primary, Secondary, and Tertiary Alcohols
5. Transferable Potentials for Phase Equilibria. 8. United-Atom Description for Thiols, Sulfides, Disulfides, and Thiophene
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