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EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)–Fe(III) center of class I RNR from Chlamydia trachomatis

Corresponding authors
Department of Chemistry, Yale University, P.O. Box 208107, New Haven, USA
Department of Integrative Structural and Computational Biology, TPC15, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, USA
Dalton Trans., 2014,43, 576-583

DOI: 10.1039/C3DT51563J
Received 13 Jun 2013, Accepted 07 Oct 2013
First published online 16 Oct 2013
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