Coordinatively unsaturated metal sites (open metal sites) in metal–organic frameworks: design and applications
Ü Kökçam-Demir, A Goldman, L Esrafili… - Chemical Society …, 2020 - pubs.rsc.org
Metal–organic frameworks (MOFs) can contain open metal sites (OMS) or coordinatively
unsaturated sites (CUS) or open coordination sites (OCS) when vacant Lewis acid sites on …
unsaturated sites (CUS) or open coordination sites (OCS) when vacant Lewis acid sites on …
Storing energy with molecular photoisomers
Some molecular photoisomers can be isomerized to a metastable high-energy state by
exposure to light. These molecules can then be thermally or catalytically converted back to …
exposure to light. These molecules can then be thermally or catalytically converted back to …
Comprehensive defect suppression in perovskite nanocrystals for high-efficiency light-emitting diodes
Electroluminescence efficiencies of metal halide perovskite nanocrystals (PNCs) are limited
by a lack of material strategies that can both suppress the formation of defects and enhance …
by a lack of material strategies that can both suppress the formation of defects and enhance …
Mercury 4.0: From visualization to analysis, design and prediction
CF Macrae, I Sovago, SJ Cottrell, PTA Galek… - Applied …, 2020 - journals.iucr.org
The program Mercury, developed at the Cambridge Crystallographic Data Centre, was
originally designed primarily as a crystal structure visualization tool. Over the years the fields …
originally designed primarily as a crystal structure visualization tool. Over the years the fields …
[PDF][PDF] CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems
The application domain of accurate and efficient CE-B3LYP and CE-HF model energies for
intermolecular interactions in molecular crystals is extended by calibration against density …
intermolecular interactions in molecular crystals is extended by calibration against density …
The Cambridge structural database
The Cambridge Structural Database (CSD) contains a complete record of all published
organic and metal–organic small-molecule crystal structures. The database has been in …
organic and metal–organic small-molecule crystal structures. The database has been in …
Compositional and orientational control in metal halide perovskites of reduced dimensionality
Reduced-dimensional metal halide perovskites (RDPs) have attracted significant attention in
recent years due to their promising light harvesting and emissive properties. We sought to …
recent years due to their promising light harvesting and emissive properties. We sought to …
[HTML][HTML] Recent progress in metal-organic frameworks (MOFs) for CO2 capture at different pressures
S Mahajan, M Lahtinen - Journal of Environmental Chemical Engineering, 2022 - Elsevier
Global climate change ensued by the rise in atmospheric CO 2 levels is one of the greatest
challenges our planet is facing today. This worldwide distress demands technologies that …
challenges our planet is facing today. This worldwide distress demands technologies that …
[PDF][PDF] Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman… - … Section B: Structural …, 2016 - journals.iucr.org
The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with
five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a …
five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a …
Functional materials discovery using energy–structure–function maps
Molecular crystals cannot be designed in the same manner as macroscopic objects,
because they do not assemble according to simple, intuitive rules. Their structures result …
because they do not assemble according to simple, intuitive rules. Their structures result …