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An Investigation of the Unusual 57 Fe Mössbauer Quadrupole Splittings and Isomer Shifts in 2 and 3-Coordinate Fe(II) Complexes

✍ Scribed by Zhang, Yong; Oldfield, Eric

Book ID
126021829
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
259 KB
Volume
107
Category
Article
ISSN
0022-3654

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## Abstract To predict the isomer shifts of Fe complexes in different oxidation and spin states more accurately, we have performed linear regression between the measured isomer shifts (δ~exp~) and DFT (PW91 potential with all‐electron triple‐ζ plus polarization basis sets) calculated electron densi