Blog Archives

Engineering Electrical Conductivity in Stable Zirconium-Based PCN-222 MOFs with Permanent Mesoporosity

Evidence of Alpha Radiolysis in the Formation a Californium Nitrate Species

Analytic gradients for state-averaged multiconfiguration pair-density functional theory

Experimental and Quantum Mechanical Characterization of an Oxygen‐Bridged Plutonium(IV) Dimer

Negative cooperativity upon hydrogen bond-stabilized O₂ adsorption in a redox-active metal–organic framework

Sulfur Vacancy Clustering and its Impact on Electronic Properties in Pyrite FeS2

Advancement of Actinide Metal–Organic Framework Chemistry via Synthesis of Pu-UiO-66

Correlating Electronic Structure and Magnetic Anisotropy in Actinide Complexes [An(COT)2], AnIII/IV = U, Np, and Pu

NWChem: Past, present, and future

Tuning Catalytic Sites on Zr6O8 Metal Organic Framework Nodes via Ligand and Defect Chemistry probed with t-Butyl Alcohol Dehydration to Isobutylene