Coarse-grained force field for ZIF-8: A study on adsorption, diffusion, and structural properties

Metal–organic frameworks (MOFs) are revolutionizing a spectrum of industries, from groundbreaking gas storage solutions to transformative biological system applications. The intricate architecture of these materials necessitates the use of advanced computational techniques for a comprehensive unders...

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Veröffentlicht in:	The Journal of chemical physics 2024-05, Vol.160 (20)
Hauptverfasser:	Mohamed, Amro M. O., Economou, Ioannis G., Jeong, Hae-Kwon
Format:	Artikel
Sprache:	eng
Schlagworte:	Amorphization Crystal defects Crystal structure Metal-organic frameworks Molecular structure Physical properties Pressure effects Simulation
Online-Zugang:	Volltext
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