The structure and spin-states of some Fe(III) mimics of nitrile hydratase, studied by DFT and ONIOM(DFT:PM3) calculations

Claudio A. Morgado, Jonathan P. Mcnamara, Ian H. Hillier *, Mahesh Sundararajan
  • Molecular Physics, March 2005, Taylor & Francis
  • DOI: 10.1080/00268970512331340583

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The following have contributed to this page: Dr Mahesh Sundararajan