Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling
Thermal Stabilization of Metal–Organic Framework-Derived Single-Site Catalytic Clusters Through Nanocasting
MOLCAS 8: New Capabilities for Multiconfigurational Quantum Chemical Calculations across the Periodic Table
Multiconfiguration Pair-Density Functional Theory is as Acccurate as CASPT2 for Electronic Excitation
Tuning Zr6 Metal–Organic Framework (MOF) Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts