Modeling Gas Adsorption in Flexible Metal-Organic...

Advanced Theory and Simulations 2019 / 01

Modeling Gas Adsorption in Flexible Metal-Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes

Rogge, Sven M. J., Goeminne, Ruben, Demuynck, Ruben, Gutiérrez-Sevillano, Juan José, Vandenbrande, Steven, Vanduyfhuys, Louis, Waroquier, Michel, Verstraelen, Toon, Van Speybroeck, Veronique
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Journal:
Advanced Theory and Simulations
DOI:
10.1002/adts.201800177
Date:
January, 2019
File:
PDF, 2.23 MB
2019
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