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Electronic structure of the thiabenzene anion

โœ Scribed by A. F. Pronin; V. G. Kharchenko; A. A. Bagatur'yants

Book ID
112325244
Publisher
Springer US
Year
1977
Tongue
English
Weight
98 KB
Volume
13
Category
Article
ISSN
0009-3122

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๐Ÿ“œ SIMILAR VOLUMES

The electronic structure of the disilavi
The electronic structure of the disilavinylidene anion
โœ Josef Kalcher; Alexander F. Sax ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 335 KB

The electronic structure of the disilavinylidene ( HZSi = Si) -anion is investigated with the MC SCF CI and CEPA methods. In addition to the doublet ground state ( 2B2) with an electron affinity of 1.65 eV, an excited state (4A") is found which is still stable by about 0.6 eV. 'A, 'A\* \*B\* K(3a1)\

Electronic structure and spectra of the
Electronic structure and spectra of the peroxynitrite anion
โœ M. Krauss ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 311 KB

The planar cis conformer is calculated as lowest in energy but the trans is sufficiently close that both species may be present at room temperature. The difference in the peak absorption energy for the strong 1 'A'+2 'A' transition is calculated to be sufflciently large between the conformers to dis