Distinguishing Homolytic vs Heterolytic Bond Dissociation of Phenylsulfonium Cations with Localized Active Space Methods
High-Temperature Water Adsorption Isotherms and Ambient Temperature Water Diffusion Rates on Water Harvesting Metal–Organic Frameworks
Core Binding Energy Calculations: A Scalable Approach with the Quantum Embedding-Based Equation-of-Motion Coupled-Cluster Method