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The Electronic Spectrum of Re 2 Cl 82- : A Theoretical Study

✍ Scribed by Gagliardi, Laura; Roos, Björn O.


Book ID
126023733
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
162 KB
Volume
42
Category
Article
ISSN
0020-1669

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📜 SIMILAR VOLUMES


Electronic structure of Re2Cl82−
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The multiple suttedng Xcr method has been used tb calculate the ord&ng of both occupied a& ~~cc~pi~d one-electron energy states of ReaClg-. Single crystal polarized electkic spectra of [(nC&)4N] z[Re2C!ls] have been measured at 5 K. Principal band maxima are observed at i4 180 (z), 30 870 Izy), hnd

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The electronic spectrum of thiophene has been studied using multiconfiguration second-order perturbation theory and extended AN0 basis sets. The calculations comprise four singlet valence excited states and the 3s3p3d Rydberg series. The lowest triplet states were included and some n-n\* and n-ti st