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Published November 26, 2019 | Version 1.0
Dataset Open

Computational supporting information for direct reaction of anthralin with molecular oxygen as a function of solvent environment

  • 1. Montana State University

Contributors

Project leader:

Researcher:

  • 1. Montana State University

Description

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.

 

Files

free_volume_correction.zip

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Additional details

References

  • The manuscript is currently under review with ACS JOC.