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FACCTs
faccts.de
did:plc:e6ses5okejrwl6b4nwg565v2
MCD and excited-state dynamics are only a small part of ORCA’s (FACCTs & MPI Kofo) spectroscopy toolkit. Check out the recent paper by Serena DeBeer, Frank Neese and co-workers on the spin-forbidden transition in iron(IV)-oxo catalysts.
https://doi.org/10.1126/sciadv.ado1603
#ORCAqc #CompChem #ChemSky
2024-10-11T07:33:34.908Z