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12 variously transformed reference potentials for 320 compounds of biochemical interest in unit kJ/mol.

Approximately 1360 of each type of transform are listed in columns 3 - 14. The number 1360 > 320 because a chemical compound often has multiple entries. This reflects that there are multiple data sources, phases, protonation states or Mg complexation states for that compound.

Column 2 contains the familiar reference (standard at the physical chemical reference state) physical chemical ...

Creators: Hans V. Westerhoff, Peter J. Halling, Johann Rohwer, Carsten Kettner, Yanhua Liu, Yanhua Liu, HVW collected physical chemical reference potentials from the literature and developed and carried out all transformations thereto writing an excel file. YL checked the values obtained from the literature. PJH and HVW developed the CNPS gauge shifts. PJH checked the methodology used as well as the naming of the compounds. JR developed a Python program to compute the transformed reference potentials and thereby checked the values obtained by HVW. (A limited number of errors was identified and eliminated in this manner).

Submitter: Hans V. Westerhoff

DOI: 10.15490/fairdomhub.1.datafile.9798.2

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