Blog Archives

Isomerization and Selective Hydrogenation of Propyne: Screening of Metal–Organic Frameworks Modified by Atomic Layer Deposition

Multi-State Pair-Density Functional Theory

Valence and Structure Isomerism of Al₂FeO₄⁺: Synergy of Spectroscopy and Quantum Chemistry

Bioinspired Nickel Complexes Supported by an Iron Metalloligand

Magnetic Coupling in a Tris-hydroxo-Bridged Chromium Dimer Occurs through Ligand Mediated Superexchange in Conjunction with Through-Space Coupling

Structure and Reactivity of Single-Site Vanadium Catalysts Supported on Metal-Organic Frameworks

Standard Practices of Reticular Chemistry

Insights into the Structure–Activity Relationships in Metal–Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation

Using nature’s blueprint to expand catalysis with Earth-abundant metals

The Variational Localized Active Space Self-Consistent Field Method