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Calculated ground-state properties and optical spectrum of model carbonylheme complexes

✍ Scribed by Zelek S. Herman; Gilda H. Loew; Marie-Madeleine Rohmer

Book ID
104580104
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
757 KB
Volume
18
Category
Article
ISSN
0020-7608

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Calculated optical spectrum of model oxy
Calculated optical spectrum of model oxyheme complex
✍ Gilda H. Loew; Zelek S. Herman; Michael C. Zerner πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 587 KB

## Abstract The optical spectrum of a model oxyheme complex has been calculated using a new intermediate neglect of differential overlap (INDO‐SCF‐CI) method that allows for the inclusion of configuration interaction and transition metals. In addition to the porphyrin Ο€β†’Ο€\* transitions common to al