High level ab initio and DFT calculations of models of the catalytically active Ni–Fe hydrogenases

Prabha Jayapal, David Robinson, Mahesh Sundararajan, Ian H. Hillier, Joseph J. W. McDouall
  • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry
  • DOI: 10.1039/b719980e

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http://dx.doi.org/10.1039/b719980e

The following have contributed to this page: Dr Mahesh Sundararajan and Dr David Robinson