Engineering topics
Joyner, Nickolas
Publications and source records attributed to Joyner, Nickolas.
The electronic structure of diatomic nickel oxide
High level calculations at the MRCI+Q and CCSD(T) levels were used to predict the spectroscopic properties and bond dissociation energy of NiO. A range of DFT functionals were tested and most did not provide good agreement.
Chemistry↗