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Supporting Material: The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis

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https://figshare.com/articles/dataset/Supporting_Material_The_effect_of_orientated_electric_fields_on_biologically_relevant_iron-sulfur_clusters_Tuning_redox_reactivity_for_catalysis/14883615
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资源简介:
Supporting material: Structures, input- and output files; frequency calculation summaries, and Python scripts, for all DFT calculations in the manuscript "The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis" by S. J. H. Gaughan, J. D. Hirst, A. K. Croft, C. M. Jaeger
创建时间:
2021-06-30
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