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An improved model electronic Hamiltonian for potential energy surfaces and spin-orbit couplings of low-lying d-d states of [Fe(bpy)3]2+.
Iuchi S, Koga N. Iuchi S, et al. J Chem Phys. 2014 Jan 14;140(2):024309. doi: 10.1063/1.4861229. J Chem Phys. 2014. PMID: 24437879
With the aim of exploring excited state dynamics, a model electronic Hamiltonian for several low-lying d-d states of [Fe(bpy)3](2+) complex [S. Iuchi, J. Chem. Phys. 136, 064519 (2012)] is refined using density-functional theory calculations of singlet, triplet, and …
With the aim of exploring excited state dynamics, a model electronic Hamiltonian for several low-lying d-d states of [Fe(bpy)3](2+) complex …
128 results