TITLE

Quantum chemical ab initio calculations of the magnetic interaction in alkalithioferrates (III)

AUTHOR(S)
Modl, Martin; Dolg, Michael
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/1/1997, Vol. 106 Issue 5, p1836
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents quantum chemical ab initio calculations for two ternary thioferrate crystals, Na[sub 5]FeS[sub 4] and Na[sub 3]FeS[sub 3]. Cluster models and computational details; Monomeric [FeS[sub 4]][sup 5-] complex; Dimeric [Fe[sub 2]S[sub 6]][sup 6-] complex.
ACCESSION #
4148968

 

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