Vapour–liquid equilibria from molecular simulations: some issues affecting reliability and reproducibility-Reference-Cited by-同舟云学术

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Vapour–liquid equilibria from molecular simulations: some issues affecting reliability and reproducibility

Published:2019-01-02 Issue:20 Volume:117 Page:2814-2821
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Nezbeda I.¹^ORCID

Affiliation:

1. Faculty of Science, J.E. Purkinje University, Ústí nad Labem, Czech Republic

Funder

Czech Science Foundation

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2018.1562125

Reference32 articles.

1. The Gibbs Ensemble

2. From discovery to data: What must happen for molecular simulation to become a mainstream chemical engineering tool

3. The Use of Control Quantities in Computer Simulation Experiments: Application to the Exp-6 Potential Fluid

4. Simulations: The dark side

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