Ab initio and DFT studies of the spin–orbit and spin–spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds

Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Masahiro Kitagawa, Takeji Takui
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c0cp02809f

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