Results 231 to 240 of about 469,323 (348)

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

open access: yesAdvanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar   +3 more
wiley   +1 more source

Advancing from MOFs and COFs to Functional Macroscopic Porous Constructs

open access: yesAdvanced Materials, EarlyView.
This review study investigates the recent progress and methodologies for manufacturing metal–organic framework (MOF) or covalent–organic framework (COF)‐based 3D structured macroscopic porous constructs with high structural integrity, providing the possibility to control their porosity across dimensions.
Seyyed Alireza Hashemi   +8 more
wiley   +1 more source

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

open access: yesAdvanced Materials, EarlyView.
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman   +3 more
wiley   +1 more source

Structural Control of Photoconductivity in a Flexible Titanium‐Organic Framework

open access: yesAdvanced Materials, EarlyView.
The concept of flexibility is extended to titanium frameworks and use it to gain control over charge transport. MUV‐35 is a flexible doubly interpenetrated framework that can shrink spontaneously its volume by ≈40% to afford a photoconductive, porous state that is thermodynamically favored by non‐covalent interactions. Abstract The soft nature of Metal‐
Clara Chinchilla‐Garzón   +6 more
wiley   +1 more source

Comparison of ELAPSS Score and Computational Fluid Dynamics for Predicting Growth of Small Unruptured Cerebral Aneurysms. [PDF]

open access: yesNeurol Med Chir (Tokyo)
Tsuji M   +10 more
europepmc   +1 more source

Advancing Metal–Organic Framework‐Based Composites for Effective Chemical Warfare Agent Detoxification under Real‐World Conditions

open access: yesAdvanced Materials, EarlyView.
This review describes recent developments in the design and synthesis of metal–organic frameworks (MOF)/textile composites for the detoxification of chemical warfare agent and simulants with extensive discussion on the advantages and disadvantages of different methods.
Zhihua Cheng   +4 more
wiley   +1 more source

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