Blog Archives

Tuning Zr₆ Metal–Organic Framework (MOF) Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts

Single-Site Organozirconium Catalyst Embedded in a Metal–Organic Framework

Length Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires

Heterobimetallic Complexes that Bond Vanadium to Iron, Cobalt, and Nickel

Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor–Bridge–Acceptor Systems

Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co–O–Co Unit

Influence of Copper Oxidation State on the Bonding Electronic Structure of Cobalt-Copper Complexes

Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions

Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N₂ Activation

Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal–Metal-Bonded Complexes?