2

Isomer-driven polymerization, depolymerization, and reconstruction
We report that differences in ring strain enthalpy between cis and trans isomers of sila-cycloheptene provide a driving force for both …
PDF Cite DOI
Isomer-driven polymerization, depolymerization, and reconstruction
Improving Predictions of Spin-Crossover Complex Properties through DFT Calculations with a Local Hybrid Functional
We conducted a study on the performance of the local hybrid exchange–correlation functional PBE0r for a set of 95 experimentally …
PDF Cite DOI
Improving Predictions of Spin-Crossover Complex Properties through DFT Calculations with a Local Hybrid Functional
MOFs with the Stability for Practical Gas Adsorption Applications Require New Design Rules
Metal–organic frameworks (MOFs) have been widely studied for their ability to capture and store greenhouse gases. However, most …
PDF Cite DOI ChemRxiv
MOFs with the Stability for Practical Gas Adsorption Applications Require New Design Rules
Caged AIEgens: Multicolor and White Emission Triggered by Mechanical Activation
Aggregation-induced emission luminogens (AIEgens) that respond to mechanical force are increasingly used as force probes, memory …
PDF Cite DOI
Caged AIEgens: Multicolor and White Emission Triggered by Mechanical Activation
CH−π Interactions Are Required for Human Galectin-3 Function
Glycan-binding proteins, or lectins, recognize distinct structural elements of polysaccharides, to mediate myriad biological functions. …
PDF Cite DOI
CH−π Interactions Are Required for Human Galectin-3 Function
Designing membranes with specific binding sites for selective ion separations
A new class of membranes that can separate ions of similar size and charge is highly desired for resource recovery, water reuse and …
PDF Cite DOI
Designing membranes with specific binding sites for selective ion separations
Reaction: The Challenge of Open-Shell Transition Metal Catalysis in "Systems Chemistry"
PDF Cite DOI
Computational Screening of Putative Catalyst Transition Metal Complexes as Guests in a Ga₄L₆⁻¹² Nanocage
Metal-organic cages form well-defined microenvironments that can enhance the catalytic proficiency of encapsulated transition metal …
PDF Cite DOI ChemRxiv
Computational Screening of Putative Catalyst Transition Metal Complexes as Guests in a Ga₄L₆⁻¹² Nanocage
Metal–Organic Framework Stability in Water and Harsh Environments from Data-Driven Models Trained on the Diverse WS24 Data Set
Metal–organic frameworks (MOFs) are porous materials with applications in gas separations and catalysis, but a lack of water stability …
PDF Cite DOI ChemRxiv
Metal–Organic Framework Stability in Water and Harsh Environments from Data-Driven Models Trained on the Diverse WS24 Data Set
Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites
Metal-organic frameworks (MOFs) are promising materials for gas sensing but are often limited to single-use detection. A hybridization …
PDF Cite DOI MIT News
Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites