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Theoretical Study of the Magnetic Behavior of [Fe 8 ] and [Fe 16 ] Wheels

✍ Scribed by Carrasco, Rosa; Cano, Joan; Mallah, Talal; Jones, Leigh F.; Collison, David; Brechin, Euan K.


Book ID
117998440
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
130 KB
Volume
43
Category
Article
ISSN
0020-1669

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Theoretical Study of the Magnetic Behavi
✍ Eliseo Ruiz; Santiago Alvarez πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 493 KB

## Abstract __Calculations of exchange coupling constants (__J__) based on density functional theory for eight complete, nonmodeled ferric wheels have been performed, and a comparison with the values obtained from magnetic susceptibility data is presented. The calculated__ J __values obtained with