Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Optical absorption spectrum (black) of NiIIRd overlaid with TD-DFT-calculated optical transitions for the full model of NiIIRd (blue sticks). (Inset) Electron difference densities for the dominant transitions in the visible and near-UV region of the spectrum; blue lobes reflect loss of electron density, while red lobes reflect increased electron density in the transition. Difference density figures are labeled according to the energy-ordered number of that transition.
