DFT calculations of57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: Applications to methane monooxygenase and ribonucleotide reductase
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference103 articles.
1. Kernresonanzfluoreszenz von Gammastrahlung in Ir191
2. Kernresonanzabsorption von Gammastrahlung in Ir191
3. Kernresonanzabsorption von γ-Strahlung in Ir191
4. Evidence for Quadrupole Interaction ofFe57m, and Influence of Chemical Binding on Nuclear Gamma-Ray Energy
5. ; ; Mössbauer Spectroscopy and Transition Metal Chemistry, Inorganic Chemistry Concepts 3; ; ; ; ; ; ; ; , Eds.; Springer-Verlag: Berlin, 1978.
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