Work Description

Title: Solvation Manuscript Dataset Open Access Deposited

Attribute Value
  • N/A
  • All data are organized and named after their figure numbers in the main text or the supplemental information. The .txt files contain xyz coordinates for all computationally optimized geometries of chemical structures. The .csv files contain other raw data associated with the figures in the main text, in which labels of the x and y axes are also described.
Contact information
Funding agency
  • Department of Energy (DOE)
Date coverage
  • 2017-02
Citations to related material
Resource type
Last modified
  • 09/22/2020
  • All rights reserved
License Comments
  • All citations must be directed to the original journal publication as well as a link to this IUScholarWorks repository. Any question should be addressed to Professor Amar Flood (
To Cite this Work:
Liu, Y., Sengupta, A., Raghavachari, K., Flood, A. Solvation Manuscript Dataset [Data set]. Indiana University - DataCORE.


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