Results 241 to 250 of about 1,303,101 (371)

Molecular Simulations of Polymer‐based Drug Nanocarriers: From Physical and Structural Properties to Controlled Release

open access: yesAdvanced Healthcare Materials, EarlyView.
Polymer‐based drug delivery systems can effectively overcome the limitations of free drugs in terms of solubility, stability, and plasma half‐life, yet their development has traditionally relied on time‐consuming trial‐and‐error approaches. This review highlights recent advances in applying molecular simulation to the design of polymer‐based drug ...
Ping Gao   +4 more
wiley   +1 more source

A New Family of Ternary Intermetallic Compounds with Dualistic Atomic Ordering – The ZIP Phases

open access: yesAdvanced Materials, EarlyView.
The ZIP phases are ternary intermetallic compounds with dualistic atomic ordering, i.e., they exhibit one face‐centered cubic (fcc; space group Fd3¯$\bar 3$m) variant and one hexagonal (space group P63/mmc) variant. The ZIP phases in the Nb‐Si‐Ni system are the Nb3SiNi2 (fcc) and Ni3SiNb2 (hexagonal) ternary IMCs, crystal structure schematics of which ...
Matheus A. Tunes   +24 more
wiley   +1 more source

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

Equilibrium, kinetics and thermodynamics of Cadmium (II) biosorption on to composite chitosan biosorbent

open access: yes, 2017
Suguna Madala   +4 more
semanticscholar   +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

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