Skip to main content
. Author manuscript; available in PMC: 2021 Feb 15.
Published in final edited form as: Chemistry. 2018 Jan 11;24(20):5225–5237. doi: 10.1002/chem.201704617

Table 2.

Computed Mössbauer parameters [isomer shift (IS) and quadrupole splitting (QS)] for the model of the native state (M0) and relative shifts of the parameters computed for four different models of the Fe2+hARD–ACI complex (M1–M4) with respect to M0.

Fe2+hARD model (M0) Δ(M1–M0) Δ(M2–M0) Δ(M3–M0) Δ(M4–M0)

IS [mm s−1] 1.107 −0.039 −0.029 −0.086 −0.076
QS [mm s−1] 3.107 −0.114 0.243 0.447 −0.385