๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Transition Metal Substitution in ETS-10: DFT Calculations and a Simple Model for Electronic Structure Prediction

โœ Scribed by Shough, Anne Marie; Doren, Douglas J.; Ogunnaike, Babatunde


Book ID
126000130
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
446 KB
Volume
21
Category
Article
ISSN
0897-4756

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


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