Effects of the molecular structure on the electronic vertical spectrum of oxoglaucine
The vertical electronic spectrum of oxoglaucine by means of a multireference configuration interaction method (DFT/MRCI) was studied. The effect of both methyl and methoxy groups on the geometries and energetic distribution of the low-lying excited states was analyzed. The results show that, by mean...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidad Nacional de Colombia
2018-01-01
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| Series: | Revista Colombiana de Química |
| Subjects: | |
| Online Access: | https://revistas.unal.edu.co/index.php/rcolquim/article/view/62419 |