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in the ab initio crystal Hartree-Fock approximation

โœ Scribed by Su, Y.-S.; Kaplan, T. A.; Mahanti, S. D.; Harrison, J. F.


Book ID
121690541
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
126 KB
Volume
61
Category
Article
ISSN
1098-0121

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Polyiodide chains in crystalline organic
โœ E. B. Starikov ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 190 KB

HartreeแސFock crystal orbital calculations of two crystalline organic ลฝ . iodides, tetrathiafulvalenium triiodide TTF)I and dipyridinium decaiodide 3 ลฝ . NHC H )I , were carried out. The former crystal contains no true polyiodide chains, 5 5 2 10 whereas such chains are present in the latter crystal