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Electronic structure of transition-metal nitrosyls. X.alpha.-SW and configuration interaction calculations of the valence ionization potentials of tricarbonylnitrosylcobalt and tetracarbonylnitrosylmanganese

โœ Scribed by Bursten, Bruce E.; Jensen, J. Robert; Gordon, Douglas J.; Treichel, Paul M.; Fenske, Richard F.


Book ID
127067033
Publisher
American Chemical Society
Year
1981
Tongue
English
Weight
791 KB
Volume
103
Category
Article
ISSN
0002-7863

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Xฮฑ-SW calculations of the electronic str
โœ Alessandro Bencini; Dante Gatteschi ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 418 KB

The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter