Results 201 to 210 of about 687,072 (327)

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

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

Multi-Center, Multi-Vendor Validation of Simultaneous MRI-Based Proton Density Fat Fraction and R2* Mapping Using a Combined Proton Density Fat Fraction-R2* Phantom. [PDF]

open access: yesJ Magn Reson Imaging
Starekova J   +11 more
europepmc   +1 more source

Rational Design of Metal–Organic Frameworks for Pancreatic Cancer Therapy: from Machine Learning Screening to In Vivo Efficacy

open access: yesAdvanced Materials, EarlyView.
This work explores the MOF landscape to select a single, optimal candidate for successfully delivering cancer drugs (gemcitabine, paclitaxel, SN‐38) into tough pancreatic tumors. Machine learning and simulations guide this search, demonstrating colloidal stability, excellent biocompatibility, cellular uptake, and sustained release.
Francesca Melle   +9 more
wiley   +1 more source

Supramolecular Chemistry in Metal–Organic Framework Materials

open access: yesAdvanced Materials, EarlyView.
This review highlights synergies between reticular chemistry and supramolecular chemistry. The role of supramolecular interactions in determining framework…guest interactions and attempts to understand dynamic behavior in metal–organic frameworks (MOFs), particularly emphasizing the development of crystal sponges, studying reactions in frameworks and ...
Eugenia Miguel‐Casañ   +3 more
wiley   +1 more source

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