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Calculation of the electronic spectra of two tetraazanaphthalenes using SCF MO CI method

✍ Scribed by A. Hinchliffe; M.A. Ali; E. Farmer


Book ID
113371799
Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
274 KB
Volume
23
Category
Article
ISSN
1386-1425

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All-valence-electron SCF MO CI calculations of the spectra of dianion and free base porphin were performed. Comparisons are made with other SCF MO CI calculations and with experiment. The results obtained are seen to be in reasonable agreement with experiment. Characteristics of the calculated ba