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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.
Keyphrases
  • social media
  • healthcare
  • density functional theory
  • crystal structure