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Optimized Finite Difference Method for the Full-Potential XANES Simulations: Application to Molecular Adsorption Geometries in MOFs and Metal-Ligand Intersystem Crossing Transients.

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Description scientific article published on 11 August 2015
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author: Aram L Bugaev  Kirill A. Lomachenko  Carlo Lamberti  Alexander Guda  Mikhail Soldatov  Alexander V. Soldatov  Wojciech Gawelda  Sergey A Guda 

Publication date August 11, 2015
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