Comparative Study of the Gas-phase Cyclodimer Formations of Uracil and 6-azauracil in Excited State and Through Conical Intersections S0/S1
The photocyclodimerization mechanisms of two oxo tautomers of uracil and 6-azauracil were studied at the CC2 level of theory and cc-pVDZ basis functions. Uracil was explored in three orientations of the monomers - cis-anti, trans-syn and trans-anti, while 6-azauracil - in all four orientations. Coni...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Slovenian Chemical Society
2018-09-01
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| Series: | Acta Chimica Slovenica |
| Subjects: | |
| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/4040 |