Extended MC SCF computations of the CAS SCF type have been performed on four energetically low-lying electronic states of Her?+ dications. The X 'Z + ground state is predicted to be thermodynamically stable by 0.72 eV, while the a 'II and A 'II excited states represent metastable species with barrie
Theoretical investigations of the electronic states of porphyrins. III. Low-lying electronic states of porphinatoiron(II)
โ Scribed by Diane C. Rawlings; Martin Gouterman; Ernest R. Davidson; David Feller
- Book ID
- 104581566
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 972 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0020-7608
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