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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C. Lamberti | A. Guda | S. Guda | A. Bugaev | M. Soldatov | K. Lomachenko | A. Soldatov | W. Gawelda | C. Bressler | G. Smolentsev | Y. Joly