Blog Archives

Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe₂(dobdc)

SplitGAS Method for Strong Correlation and the Challenging Case of Cr₂

Dinitrogen Activation at Iron and Cobalt Metallalumatranes

The Ligand-Based Quintuple Bond-Shortening Concept and Some of Its Limitations

Ab Initio Extension of the AMOEBA Polarizable Force Field to Fe²⁺

Theoretic study of the electronic spectra of neutral and cationic PaO and PaO₂

The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework

A Trigonal-Prismatic Hexanuclear Technetium(II) Bromide Cluster: Solid-State Synthesis and Crystallographic and Electronic Structure

Multiple Metal–Metal Bonds in Iron–Chromium Complexes

Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes