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. 2023 Feb 9;28(4):1668. doi: 10.3390/molecules28041668
bpmp 2,6-bis(2-pyridylmethyl)pyridine
CASPT2 complete-active-space second-order perturbation theory
CASSCF complete-active-space self-consistent field
cpmp 6,2″-carboxypyridyl-2,2′-methylamine-pyridyl-pyridine
ddpd N,N′-dimethyl-N,N′-dipyridine-2-ylpyridine-2,6-diamine
dqp 2,6-di(quinolin-8-yl)-pyridine
FTIR Fourier transform infrared (spectroscopy)
ISC intersystem crossing
LFS ligand-field splitting
LVC linear vibronic coupling
SH surface hopping
TAS transient absorption spectroscopy
TDDFT   time-dependent density functional theory