Blog Archives

An Exceptionally Stable Metal–Organic Framework Supported Molybdenum(VI) Oxide Catalyst for Cyclohexene Epoxidation

Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation

Computationally-Guided Discovery of Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization

MOF: Creating an Educational Game on Nanotechnology through Simulation-Driven Optimization

A Precise and Scalable Post-Modification of Mesoporous Metal-Organic Framework NU-1000 Via Atomic Layer Deposition

Redox Pairs of Diiron and Iron–Cobalt Complexes with High-Spin Ground States

Installing Heterobimetallic Cobalt–Aluminum Single Sites on a Metal Organic Framework Support

Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals

Accelerated Computational Analysis of Metal–Organic Frameworks for Oxidation Catalysis

Second Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions