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Beyond TCNE: new building blocks for molecule-based magnets

✍ Scribed by Bharat B. Kaul; Matthew A. Taylor; Michael J. Whitton; Gordon T. Yee


Book ID
117538486
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
156 KB
Volume
122
Category
Article
ISSN
0379-6779

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Semiempirical computational assessment o
✍ David A. Shultz; Kay A. Sandberg πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 137 KB πŸ‘ 1 views

Semiempirical PM3-RHF-CI calculations were used to probe structure-exchange coupling relationships in radical-substituted Zn(II) porphyrins. The results support a number of important design elements for creating high-spin molecules from metalloporphyrins and the corresponding pi-cation radicals. The