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A CASPT2 Study of the Electronic Spectrum of Hexacyanoosmate(III)

✍ Scribed by Van den Heuvel, Willem; Hendrickx, Marc F. A.; Ceulemans, Arnout


Book ID
121403764
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
130 KB
Volume
46
Category
Article
ISSN
0020-1669

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## Ab initio confgumtion interaction crdculations for some Iowv-lying electronic states of the ditiorocabene radical (CCh) h&e been Mied out. The UV absorption band st 330 nm (3.76 eV) obtained by the puke radioIysis experiment is confiiect and assigszed to the 'Al -IBt txmsition. The c&t&ted tran