Blog Archives

Uranium triatomic compounds XUY (X,Y=C,N,O): a combined multiconfigurational second-order perturbation and density functional study

A density functional study of thorium tetrahalides

On the resolution of identity Coulomb energy approximation in density functional theory

On the dissociation of N₆ into 3 N₂ molecules

Dissociation reaction of N₈ azapentalene to 4N₂: A theoretical study

A theoretical study of plutonium diketone complexes for solvent extraction

Hydration of UO₂²⁺ and PuO₂²⁺

An efficient method for calculating effective core potential integrals which involve projection operators

A Relativistic Density Functional Study on the Uranium Hexafluoride and Plutonium Hexafluoride Monomer and Dimer Species

A theoretical study of ten N₈ isomers