ThegValues of Some Halomolybdenyl, -vanadyl, and -chromyl Complexes

The principalgvalues of a series of [MOXn]m−(M= VIV, CrV, MoV;X= F−, Cl−, Br−;n= 4, 5;m= 1, 2, 3) complexes are calculated by the INDO–CI–Stone method. The results agree well with the experimental data and reveal that the traditional models have some limitations in calculatinggvalues for some comple...

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Veröffentlicht in:Journal of magnetic resonance (1997) 1999-05, Vol.138 (1), p.80-88
Hauptverfasser: Li, Wenjie, Hong, Maochun, Cao, Rong, Kang, Beisheng, Liu, Hanqin
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Sprache:eng
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Zusammenfassung:The principalgvalues of a series of [MOXn]m−(M= VIV, CrV, MoV;X= F−, Cl−, Br−;n= 4, 5;m= 1, 2, 3) complexes are calculated by the INDO–CI–Stone method. The results agree well with the experimental data and reveal that the traditional models have some limitations in calculatinggvalues for some complexes of this type.
ISSN:1090-7807
1096-0856
DOI:10.1006/jmre.1999.1707