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A quantum chemical investigation of the electronic structure of thionine

✍ Scribed by Doerr, Markus; Marian, Christel M.; Rodriguez-Serrano, Angela; Daza, Martha C.

Book ID
115314274
Publisher
Royal Society of Chemistry
Year
2012
Tongue
English
Weight
596 KB
Volume
11
Category
Article
ISSN
1474-905X

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Quantum-chemical investigation of spatia
Quantum-chemical investigation of spatial and electronic structure of verdazyl and its derivatives
✍ L. N. Markovsky; O. M. Polumbrik; A. M. Nesterenko πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 251 KB

## Abstract The unrestricted HF method in the INDO approximation with optimized geometry was used to describe the electronic structure of the hetero‐ring of verdazyl and the derivatives of the latter. The results obtained are in good agreement with the experimental EPR spectra of triphenylverdazyl