Insights from the Absorption Coefficient for the Development of Polarizable (Multipole) Force Fields. [PDF]
Sappl M+5 more
europepmc +1 more source
Advancing from MOFs and COFs to Functional Macroscopic Porous Constructs
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
Unfolding of single Staphycococcal Nuclease with intermolecular force spectroscopy
Isao Sakane+3 more
openalex +2 more sources
Investigation of Compatibility Mechanisms and Diffusion Behavior of Polymer SBS-Modified Asphalt Compatibilizer Using Molecular Dynamics Simulation. [PDF]
Li N+5 more
europepmc +1 more source
Computational Modeling of Reticular Materials: The Past, the Present, and the Future
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
<orgname lang = "en">Three-Dimensional Intermolecular Force Microscopy</orgname>
Yusuke Otsubo, K. Kitamura
openalex +2 more sources
Substituent Effects on Crystal Engineering of DNBT-Based Energetic Cocrystals: Insights from Multiscale Computational Analysis. [PDF]
Shi L+7 more
europepmc +1 more source
Hierarchically MOF‐Based Porous Monolith Composites for Atmospheric Water Harvesting
This review explores the design of hierarchical porous materials for atmospheric water harvesting, focusing on metal‐organic frameworks (MOFs) and porous monoliths. Emphasis is placed on integrating MOF nanoscale porosity with the microscale channels of monolithic scaffolds to enhance sorption‐desorption performance.
Mahyar Panahi‐Sarmad+7 more
wiley +1 more source
Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library. [PDF]
Chen Z+7 more
europepmc +1 more source