Blog Archives

Experimental and Theoretical Evidence for U(C₆H₆) and Th(C₆H₆) Complexes

Copper(I)−α-Ketocarboxylate Complexes:  Characterization and O₂ Reactions That Yield Copper−Oxygen Intermediates Capable of Hydroxylating Arenes

A Quantum Chemical and Molecular Dynamics Study of the Coordination of Cm(III) in Water

Transition Metal- and Actinide-Containing Systems Studied with Multiconfigurational Quantum Chemical Methods

Self-Sorting Chiral Subcomponent Rearrangement During Crystallization

A Combined Experimental and Theoretical Study of Uranium Polyhydrides with New Evidence for the Large Complex UH₄(H₂)₆

Ab initio DFT study of Z–E isomerization pathways of N–benzylideneaniline

Quantum Chemical Characterization of Low-Energy States of Calicene in the Gas Phase and in Solution

Reaching the Maximum Multiplicity of the Covalent Chemical Bond

Pocket and antipocket conformations for the CH₄@C₈₄ endohedral fullerene