Correction to Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications
Bibliographic record
Abstract
The original version of the article contained erroneously derived values of C G and related thermochemical constants in Table 1.C G is the constant used to convert reduction potentials and pK a values into Bond Dissociation Free Energies (BDFEs).The errors were due to an improper correction of the standard state for H • in solution from unit mole fraction (χ = 1) to 1 molar.For a detailed description of the correct derivation, we refer readers to Section S5 of our recent J. Am.Chem.Soc.article. 1 Reproduced below is a new version of Table 1 which includes corrected values of the thermochemical constants.The differences between the original and corrected C G values (ΔC G ) are given in the second column of the table; the corrections range from 2 to 5 kcal mol -1 .
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.005 | 0.029 |
| Meta-epidemiology (narrow) | 0.002 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.002 |
| Bibliometrics | 0.002 | 0.003 |
| Science and technology studies | 0.004 | 0.003 |
| Scholarly communication | 0.004 | 0.005 |
| Open science | 0.005 | 0.002 |
| Research integrity | 0.006 | 0.014 |
| Insufficient payload (model declined to judge) | 0.093 | 0.065 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".