Dataset Open Access
Robert K Szilagyi;
Luke T MacHale
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.
Name | Size | |
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free_volume_correction.zip
md5:6812c3a333a50f670e1e3c81d29ccaf9 |
1.2 MB | Download |
molecular_structures.zip
md5:d3bbdab1e358a219c04be0fb65bae9be |
1.4 MB | Download |
README.txt
md5:786e975f9a50988ef1f70628b5d19af2 |
1.8 kB | Download |
theory_validation.zip
md5:dd56df87986b30c24eab6f279f76a149 |
7.9 MB | Download |
The manuscript is currently under review with ACS JOC.
All versions | This version | |
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Views | 63 | 27 |
Downloads | 21 | 17 |
Data volume | 118.3 MB | 34.3 MB |
Unique views | 59 | 25 |
Unique downloads | 8 | 5 |