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Vanadium-and manganese-based metal-organic frameworks for potential environmental and catalysis applications
Industrialization has significantly compromised air quality, environmental health, and human
well-being. Therefore, it is highly necessary to develop efficient and cost-effective strategies …
well-being. Therefore, it is highly necessary to develop efficient and cost-effective strategies …
Quantum-chemical characterization of the properties and reactivities of metal–organic frameworks
The present review is concerned with quantum mechanical electronic structure calculations
on metal− organic frameworks (MOFs) to elucidate their properties and functionalities. There …
on metal− organic frameworks (MOFs) to elucidate their properties and functionalities. There …
Crystal transformation in zeolitic-imidazolate framework
The phase transformation of a zinc-2-methylimidazole-based zeolitic-imidazolate framework
(ZIF), from a recently discovered ZIF-L to ZIF-8, was reported. ZIF-L is made up of the same …
(ZIF), from a recently discovered ZIF-L to ZIF-8, was reported. ZIF-L is made up of the same …
A Flexible Photoactive Titanium Metal–Organic Framework Based on a [TiIV3(μ3‐O)(O)2(COO)6] Cluster
The synthesis of titanium–carboxylate metal–organic frameworks (MOFs) is hampered by
the high reactivity of the commonly employed alkoxide precursors. Herein, we present an …
the high reactivity of the commonly employed alkoxide precursors. Herein, we present an …
Pillared-layered metal–organic frameworks for mechanical energy storage applications
Herein we explore the unique potential of pillared-layered metal–organic frameworks of the
DMOF-1 family for mechanical energy storage applications. In this work, we theoretically …
DMOF-1 family for mechanical energy storage applications. In this work, we theoretically …
Implications of vanadium in technical applications and pharmaceutical issues
D Rehder - Inorganica Chimica Acta, 2017 - Elsevier
This overview addresses technical, biological and medicinal aspects of vanadium chemistry
with special emphasis directed towards recent developments in industrial areas and …
with special emphasis directed towards recent developments in industrial areas and …
[HTML][HTML] Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type
The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the
attention due to potential applications in sensor techniques and (micro-) electronic …
attention due to potential applications in sensor techniques and (micro-) electronic …
Exploring the flexibility of MIL-47 (V)-type materials using force field molecular dynamics simulations
The flexibility of three MIL-47 (V)-type materials (MIL-47, COMOC-2, and COMOC-3) has
been explored by constructing the pressure versus volume and free energy versus volume …
been explored by constructing the pressure versus volume and free energy versus volume …
Unusually large band gap changes in breathing metal–organic framework materials
Many of the potential applications for metal–organic frameworks (MOFs) focus on exploiting
their porosity for molecular storage, release, and separation, where the functional behavior …
their porosity for molecular storage, release, and separation, where the functional behavior …
Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47 (V) framework
Modeling the flexibility of metal–organic frameworks (MOFs) requires the computation of
mechanical properties from first principles, eg, for screening of materials in a database, for …
mechanical properties from first principles, eg, for screening of materials in a database, for …