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Paper

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

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Corresponding authors
a
Department of Chemistry, Yale University, P.O. Box 208107, New Haven, USA
E-mail: victor.batista@yale.edu
b
Department of Integrative Structural and Computational Biology, TPC15, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, USA
E-mail: lou@scripps.edu
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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