Spin Crossover in Iron(II) Porphyrazine Induced by...

The Journal of Physical Chemistry C 2019 / 08

Spin Crossover in Iron(II) Porphyrazine Induced by Non-Covalent Interactions Combined with Hybridization of Iron(II) Porphyrazine and Ligand’s Orbitals : CASPT2 , CCSD(T) and DFT Studies

Lo, Rabindranath, Manna, Debashree, Zbořil, Radek, Nachtigallova, Dana, Hobza, Pavel
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Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/acs.jpcc.9b05352
Date:
August, 2019
File:
PDF, 518 KB
english, 2019
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