Calculated optical spectrum of model oxy
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Gilda H. Loew; Zelek S. Herman; Michael C. Zerner
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Article
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1980
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John Wiley and Sons
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English
β 587 KB
## Abstract The optical spectrum of a model oxyheme complex has been calculated using a new intermediate neglect of differential overlap (INDOβSCFβCI) method that allows for the inclusion of configuration interaction and transition metals. In addition to the porphyrin ΟβΟ\* transitions common to al