Isomerization pathway of a C-C sigma bond in a bis(octaazamacrocycle)dinickel(II) complex activated by deprotonation: a DFT study.

Ingrid JelemenskaMichal ZaliberaPeter RaptaAnatoly A DobrovVladimir B ArionLukas Bucinsky

Published in: Theoretical chemistry accounts (2024)

The online version contains supplementary material available at 10.1007/s00214-024-03100-5.