DFT calculations of :::57:::Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: Applications to methane monooxygenase and ribonucleotide reductase - researchr publication

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Wen-Ge Han, Tiqing Liu, Timothy Lovell, Louis Noodleman. DFT calculations of :::57:::Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: Applications to methane monooxygenase and ribonucleotide reductase. Journal of Computational Chemistry, 27(12):1292-1306, 2006. [doi]

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