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Spin Robustness of a New Hybrid Inorganic−Organic High-Spin Molecule

✍ Scribed by Depperman, Ezra C.; Bodnar, Scot H.; Vostrikova, Kira E.; Shultz, David A.; Kirk, Martin L.

Book ID
127070382
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
33 KB
Volume
123
Category
Article
ISSN
0002-7863

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Spin alignment in organic high-spin mole
Spin alignment in organic high-spin molecules. A Heisenberg Hamiltonian approach
✍ Yoshio Teki; Takeji Takui; Masakatsu Kitano; Koichi Itoh 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 541 KB

Spin alignment in organic high-spin molecules with both unpaired II and non-bonding electrons of carbene has been studied with the help of exact numerical diagonalization of the Heisenberg Hamiltonian. This approach predicts correct spin states and their relative energy gaps of high-spin molecules n