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All valence electron SCF MO calculations on the electronic structures and reactivities of some 6a-thiathiopthenes

✍ Scribed by D.T. Clark; D. Kilcast

Book ID
108372709
Publisher
Elsevier Science
Year
1971
Tongue
French
Weight
641 KB
Volume
27
Category
Article
ISSN
0040-4020

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Electronic structure of porphyrins. All-
Electronic structure of porphyrins. All-valence-electron SCF MO CI calculations of the spectra of dianion and free base porphin
✍ Gerald M. Maggiora; Ludwik J. Weimann πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 351 KB

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