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Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

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Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C5CP07487H, Paper
Meiyuan Guo, Lasse Kragh Sorensen, Mickael G. Delcey, Rahul V. Pinjari, Marcus Lundberg
The intensities and relative energies of metal K pre-edge features are sensitive to both geometric and electronic structures.
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