Computational supporting information for direct reaction of anthralin with molecular oxygen as a function of solvent environment
| Main Authors: | Robert K Szilagyi, Luke T MacHale |
|---|---|
| Other Authors: | Emerald S Ellis, Jennifer L. DuBois |
| Format: | info dataset eJournal |
| Bahasa: | eng |
| Terbitan: |
, 2019
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/3554508 |
Daftar Isi:
- The dataset contains all computational results, including validation of the level of theory, molecular structures, and analysis spreadsheets that are in support of our experimental observations of spontaneous reactivity of anthralin/dithranol molecule with molecular oxygen without any catalyst or co-substrate. The publication is current under review at Journal of Organic Chemistry.