Blog Archives

The Generalized Active Space Concept in Multiconfigurational Self-Consistent Field Methods

Uranium Oxo and Superoxo Cations Revealed Using Infrared Spectroscopy in the Gas Phase

On the Nature of Actinide– and Lanthanide–Metal Bonds in Heterobimetallic Compounds

Infrared Spectra and Quantum Chemical Calculations of the Uranium-Carbon Molecules UC, CUC, UCH, and U(CC)₂

How Accurate are Electronic Structure Methods for Actinoid Chemistry?

Combined Triple and Double Bonds to Uranium: The N≡U═N−H Uranimine Nitride Molecule Prepared in Solid Argon

Bulky Guanidinato Nickel(I) Complexes: Synthesis, Characterization, Isomerization, and Reactivity Studies

Strong Correlation Treated via Effective Hamiltonians and Perturbation Theory

Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study

First Emission Studies of Tc₂X₈²⁻ systems (X = Cl, Br)