Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory

P. Chandrasekaran, S. Chantal E. Stieber, Terrence J. Collins, Lawrence Que, Jr., Frank Neese, Serena DeBeer
  • Dalton Transactions, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c1dt11331c
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