Blog Archives

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

A two-centre implementation of the Douglas–Kroll transformation in relativistic calculations

A full configuration interaction study of the low-lying states of the BH molecule

A theoretical study of the N8 cubane to N8 pentalene isomerization reaction

Direct-list algorithm for configuration interaction calculations