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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
Sugisaki, Kenji, Toyota, Kazuo, Sato, Kazunobu, Shiomi, Daisuke, Kitagawa, Masahiro, Takui, TakejiVolume:
13
Year:
2011
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c0cp02809f
File:
PDF, 2.59 MB
english, 2011