"DFT calculations of 57Fe Mössbauer isomer shifts and ..."

Wen-Ge Han et al. (2006)

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DOI: 10.1002/JCC.20402

access: closed

type: Journal Article

metadata version: 2021-10-14

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

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