Tehran University of Medical Sciences

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Ganjali F1 ; Ghorbani P2 ; Khaleghi N3
Authors
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Authors Affiliations
  1. 1. Catalysis and Organic Synthesis Research Laboratory, Department of Chemistry, Iran University of Science and Technology, Tehran, 16846-13114, Iran
  2. 2. School of Chemistry, College of Science, University of Tehran, Tehran, Iran
  3. 3. Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran

Source: Engineering Materials Published:2023


Abstract

Metal–organic framework (MOF) has gotten noteworthy intrigue within recent decades. In this chapter, we concentrate on highlighting both the successes and the limitations of computational methodologies for MOFs. As a case in point, we provide an advanced review of modeling investigations of gas separations in MOFs applying these new approaches and conceptions. Since the recently enhanced computational methods are normally applied in combination with the conventional ones, for continuity and clarity, some of the common approaches that have been used in MOF studies are also briefly debated here. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.
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