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Semiempirical calculations of the electronic spectra of organometallic compounds: Estimation of solvent and counterion effects

โœ Scribed by O. V. Sizova; V. I. Baranovskii; N. V. Ivanova; A. I. Panin

Book ID
105574610
Publisher
SP MAIK Nauka/Interperiodica
Year
1996
Tongue
English
Weight
1001 KB
Volume
37
Category
Article
ISSN
0022-4766

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Semiempirical calculations of electronic
Semiempirical calculations of electronic spectra of Ru (II) and Ru (III) compounds in restricted active space CI approximation
โœ O. V. Sizova; V. I. Baranovski; N. V. Ivanova; A. I. Panin ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 174 KB ๐Ÿ‘ 1 views

Calculations of spectral characteristics of seven Ru II and Ru III complexes were performed. The excitation energies of the compounds studied in this work are in agreement with experimental data. Some regularities in the structure of excited states were demonstrated. Our results show that the use of