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Possibility of determining the conformations of sterically hindered derivatives of benzene by calculating the characteristics of their ultraviolet spectra by the CNDO/S method

✍ Scribed by V. L. Gineitite; L. Z. Balyavichyus


Publisher
SP MAIK Nauka/Interperiodica
Year
1980
Tongue
English
Weight
159 KB
Volume
20
Category
Article
ISSN
0022-4766

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Singlet spectra of chromophores in the r
✍ Bruno KΓ€llebring; Sven Larsson πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 639 KB

The CNDO/S method is used to calculate spectra of monomers and pairs in the reaction center of Rhodopseudomonas uirzdis. The special pair is a strongly coupled dimer and its spectrum cannot be described by exciton coupling theory. The S, and S, states are both suggested to be in the long-wavelength