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Can I read Theoretical modeling of the singlet–triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal–ligand octahedral complexes on EtoBox?
Theoretical modeling of the singlet–triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal–ligand octahedral complexes by Alex-Adrian Farcaş; Attila Bende is a Chemistry article available to read on EtoBox.
What is Theoretical modeling of the singlet–triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal–ligand octahedral complexes about?
The structural stability, charge transfer effects and strength of the spin–orbit couplings in different Ni(ii)–ligand complexes have been studied at the DFT (B3LYP and CAM-B3LYP) and coupled cluster (DLPNO-CCSD(T)) levels of theory.
Who reads Theoretical modeling of the singlet–triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal–ligand octahedral complexes?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Alex-Adrian Farcaş; Attila Bende
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2021
- Language
- EN
- Field
- Chemistry (Physical Sciences)