Proton transfer from 1,4-pentadiene to superoxide radical anion: a QTAIM analysis
<p>We studied the bis-allylic proton transfer<br />reaction from 1,4-pentadiene to superoxide<br />radical anion (O2<br />·־). Minima and<br />transition state geometries, as well as<br />thermochemical parameters were computed<br />at the B3LYP/6-311+G(3df,...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidad Nacional de Colombia
2014-04-01
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| Series: | Revista Colombiana de Química |
| Subjects: | |
| Online Access: | http://www.revistas.unal.edu.co/index.php/rcolquim/article/view/42916 |