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Calculation of the electronic structure of aza derivatives of porphin by the MO LCAO SCF method in the INDO approximation

โœ Scribed by V. M. Mamaev; I. P. Gloriozov; L. G. Boiko


Publisher
SP MAIK Nauka/Interperiodica
Year
1979
Tongue
English
Weight
210 KB
Volume
20
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES


LCAO MO SCFฯ€-electron calculations on th
โœ A. Kaito; T. Nozawa; T. Yamamoto; M. Hatano; Y. Orii ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 606 KB

The transition energies, the oscillator strengths, and the ,4/L) values of porphin, protoporphyrin, and porphyrin a were calculated within the framework of the Wiser-I'arr-Popfc approximation. The calculated values are in reasonable agreement wzth the experimental data obtained from the ab$orption a