Elucidating the Transition Kernel and Anharmonic Coupling in the Spin‐crossover Process of a [FeIII(qsal)2] CH3OSO3 Complex Ultrafast broadband transient absorption spectroscopy and multireference excited-state nonadiabatic calculations in an open-shell Fe(III) complex unveil the rich electronic and vibrational dynamics d...

Happy to share this amazing work from Dilara @univie.ac.at, together with Dwyne Miller‘s group @utoronto.ca, just out at @angewandtechemie.bsky.social
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#SHARC 🦈 SCO dynamics with #RASSCF in a Fe(III) open-shell complex & transient spectroscopy
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onlinelibrary.wiley.com/doi/10.1002/...