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Figure 6
Simulation of the Cu K-edge absorption of the PDB code 1OXY. (a) Cu1 site with one- to three-shell model clusters. (b) Cu2 site with one- to three-shell model clusters. (c) Comparison of the three-shell simulations of Cu1, Cu2 and (Cu1 + Cu2) sites. (d) Comparison between the experimental spectrum of oxy-Hc of C. aestuarii and the (Cu1 + Cu2) three-shell simulation. Simulation of the Cu K-edge absorption of the PDB code 1JS8, fragment Odg. (e) Comparison of the three-shell simulations of Cu1, Cu2 and (Cu1 + Cu2) sites. (f) Comparison between the experimental spectrum of oxy-Hc of O. vulgaris and the (Cu1 + Cu2) three-shell simulation of Hc Odg.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 12| Part 1| December 2005| Pages 102-110
doi:10.1107/S0909049504028845
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