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An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH4 and H2 adsorption
(Royal Society of Chemistry, 2019-04-28)
Computation-ready metal-organic framework (MOF) databases (DBs) have tremendous value since they provide directly useable crystal structures for molecular simulations. The currently available two DBs, the CoRE DB ...
Molecular simulations of COFs, IRMOFs and ZIFs for adsorption-based separation of carbon tetrachloride from air
(Elsevier, 2019-01)
Covalent organic frameworks (COFs), metal organic frameworks (MOFs) and zeolitic imidazolate frameworks (ZIFs) have been widely studied gas separation applications due to their large surface areas, high pore volumes, tunable ...
Hydrothermal synthesis and characterization of two dimensional coordination polymers with 2,2′-dimethylglutarate and 1,2-bis(imidazol-1-ylmethyl)benzene
(Elsevier, 2019-03-24)
The hydrothermal reactions of some metal ions with 2,2'-dimethylglutaric acid (22dmgH(2)) and 1,2-bis(imidazol-1-ylmethyl)benzene (obix) newly afford four coordination polymers are called, {[Co-2 (mu-22dmg)(2)(mu-obix)(2)]center ...
Biocompatible MOFs for storage and separation of O2: A molecular simulation study
(American Chemical Society, 2019-02-27)
Metal organic frameworks (MOFs) are great candidates for capturing 02 due to their highly porous structures and tunable physical and chemical properties. In this study, we assessed the performance of 1525 biocompatible ...
Flux melting of metal–organic frameworks
(Royal Society of Chemistry, 2019-03-28)
Recent demonstrations of melting in the metal-organic framework (MOF) family have created interest in the interfacial domain between inorganic glasses and amorphous organic polymers. The chemical and physical behaviour of ...
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