High-Throughput Predictions of Metal–Organic Framework Electronic Properties: Theoretical Challenges, Graph Neural Networks, and {Data|Information} Exploration

{With the|Using the|With all the|Together with the} {goal|objective|aim|purpose|target} of accelerating the {design|style|design and style} and discovery of metal–organic frameworks (MOFs) for (opto)electronic and {energy|power} storage applications, we present {a new|a…

Polymer Degradation {through|via|by means of|by way of} Chemical {Change|Alter|Modify|Adjust|Transform}: AQuantum-based Test of Inferred Reactions in IrradiatedPolydimethylsiloxane

Chemical reaction schemes are {key|important|crucial|essential} conceptual tools for interpreting {the results|the outcomes} of experiments and simulations, but {often|frequently|usually|typically|generally|normally} carry implicit assumptions that {remain|stay} largely unverified for {complicated|complex|difficult} systems. Established schemes…