Data for "Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes"
Loading...
Files
Date
Advisors/Reviewers
Further Contributors
Contributing Institutions
Publisher
Journal Title
Journal ISSN
Volume Title
Publisher
Quotable link
DOI:
http://dx.doi.org/10.22029/jlupub-18222Abstract
Calculated structural data of organic redox compounds for the publication: Andreas J. Achazi, Xhesilda Fataj, Philip Rohland, Martin D. Hager, Ulrich S. Schubert, Doreen Mollenhauer. "Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes". The structures were optimized at different levels of theory.
After downloading and unpacking the *zip-file you will find a file named "Readme.pdf" which contains all details on how to use the dataset and additional computational information to recalculate all data from the dataset (information about software etc.).
