Work Description

Title: Solvation Manuscript Dataset Open Access Deposited

Other
Attribute Value
Abstract
  • This collection of data is associated with the manuscript titled "Anion Binding in Solution: Beyond the Electrostatic Regime" by Flood research group in the department of chemistry.
Methodology
  • N/A
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.
Creator
Depositor
Contact information
Funding agency
  • Department of Energy (DOE)
Date coverage
  • 2017-02
Citations to related material
Publisher
Resource type
Last modified
  • 09/22/2020
License
  • 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 (aflood@indiana.edu).
To Cite this Work:
Liu, Y., Sengupta, A., Raghavachari, K., Flood, A. Solvation Manuscript Dataset [Data set]. Indiana University - DataCORE.

Relationships

Files (Count: 62; Size: 19.1 MB)

Thumbnail Title Original Upload Last Modified File Size Access Actions
README.txt 2020-09-22 2020-09-22 3.54 KB Open Access
Download-entire-set.zip 2020-09-22 2020-09-22 5.43 MB Open Access
Fig_S66c_Tz-DMSO.txt 2020-09-22 2020-09-22 3.4 KB Open Access
Fig_S66b_Tz-MeCN.txt 2020-09-22 2020-09-22 3.21 KB Open Access
Fig_S66a_Tz-Acetone.txt 2020-09-22 2020-09-22 3.4 KB Open Access
Fig_S49_TzCl-H2O.txt 2020-09-22 2020-09-22 3.12 KB Open Access
Fig_S46b_Tz2Cl.txt 2020-09-22 2020-09-22 5.92 KB Open Access
Fig_S46a_Tz2Cl.txt 2020-09-22 2020-09-22 5.92 KB Open Access
Fig_S45b_Tz2Cl.txt 2020-09-22 2020-09-22 8.86 KB Open Access
Fig_S45a_Tz2Cl.txt 2020-09-22 2020-09-22 8.86 KB Open Access
Fig_S5_TEACl_Cs.txt 2020-09-22 2020-09-22 1.38 KB Open Access
Fig_S5_TEACl_C1-c.txt 2020-09-22 2020-09-22 1.38 KB Open Access
Fig_S5_TEACl_C1-b.txt 2020-09-22 2020-09-22 1.38 KB Open Access
Fig_S5_TEACl_C1-a.txt 2020-09-22 2020-09-22 1.38 KB Open Access
Fig_S5_TEA_S4.txt 2020-09-22 2020-09-22 1.33 KB Open Access
Fig_S5_TEA_D2.txt 2020-09-22 2020-09-22 1.33 KB Open Access
Fig_S5_TEA_C1-b.txt 2020-09-22 2020-09-22 1.33 KB Open Access
Fig_S5_TEA_C1-a.txt 2020-09-22 2020-09-22 1.33 KB Open Access
Fig_S2_Tz-D2-MeCN.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-D2-DMSO.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-D2-DCM.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-D2-Acetone.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-D2-Chloroform.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2v-MeCN.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2v-DMSO.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2v-DCM.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2v-Acetone__1_.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2v-Chloroform.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ns-MeCN.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ns-DMSO.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ns-DCM.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ns-Chloroform.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2v-Acetone.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ew-MeCN.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ew-DMSO.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ew-DCM.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-ew-Acetone.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C2h-Chloroform.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C1-MeCN.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C1-DMSO.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C1-DCM.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C1-Chloroform.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S2_Tz-C1-Acetone.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S1_Tz-D2.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S1_Tz-C2h-ew.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S1_Tz-C2h-ns.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_S1_Tz-C1.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Fig_6.txt 2020-09-22 2020-09-22 535 Bytes Open Access
Fig_5.txt 2020-09-22 2020-09-22 222 Bytes Open Access
Fig_4D.txt 2020-09-22 2020-09-22 145 Bytes Open Access
Fig_4C.txt 2020-09-22 2020-09-22 130 Bytes Open Access
Fig_4B.txt 2020-09-22 2020-09-22 1.2 KB Open Access
Fig_4A.txt 2020-09-22 2020-09-22 257 Bytes Open Access
Fig_3F.txt 2020-09-22 2020-09-22 341 Bytes Open Access
Fig_3E.txt 2020-09-22 2020-09-22 50.6 KB Open Access
Fig_3D.txt 2020-09-22 2020-09-22 9.83 KB Open Access
Fig_3C.txt 2020-09-22 2020-09-22 7.62 MB Open Access
Fig_3B.txt 2020-09-22 2020-09-22 5.75 MB Open Access
Figure_2F.txt 2020-09-22 2020-09-22 54.3 KB Open Access
Figure_2E.txt 2020-09-22 2020-09-22 41.3 KB Open Access
Figure_1A_Tz-Cl.txt 2020-09-22 2020-09-22 2.94 KB Open Access
Figure_1A_Tz.txt 2020-09-22 2020-09-22 2.98 KB Open Access

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