𝔖 Bobbio Scriptorium
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AM1 study of the electronic structure of coumarins

✍ Scribed by McCarthy, P. K.; Blanchard, G. J.


Book ID
120058560
Publisher
American Chemical Society
Year
1993
Tongue
English
Weight
557 KB
Volume
97
Category
Article
ISSN
0022-3654

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Comparative AM1 study of the electronic
✍ Carlos Kubli-Garfias; Ricardo Vazquez; JesΓΊs Mendieta πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 231 KB πŸ‘ 2 views

## KUBLI-GARFIAS, VAZQUEZ, AND MENDIETA with mono-hydroxyl or di-hydroxyl functional groups showed the lowest HOMO values; the highest LUMO values and quasi degeneracy of HOMO y 1 and LUMO q 1. The HOMO and LUMO of etiocholane and for the mono and di-hydroxyl structures were observed diffused thro