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Filtering by: Creator Raghavachari, Krishnan Creator Sengupta, Arkajyoti Creator Liu, Yun

Solvation Manuscript Dataset

Creator:

Liu, Yun, Sengupta, Arkajyoti, Raghavachari, Krishnan, and Flood, Amar H.

Description:

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.

Citation to related publication:

https://doi.org/10.5967/K8C8276G

Title:

Solvation Manuscript Dataset