A reply to: “Response to Comment on “Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts””
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
In response (Kovalenko and Neburchilov, J. Mol. MODEL: 28:33, 1) to the comment (Gusarov, J. Mol. MODEL: reduction reaction studied by Kovalenko and Neburchilov (J. Mol. MODEL: 26:267-276, 3). The intermediate products of this reaction are well known and presented in the literature including the studies of Li and Kanan (J. Am. Chem. Soc. 134:7231-7234, 4); Feaster et al. (ACS Catal. 7:4822-4827, 5); Choi et al. (Sci. Rep. 7:41,207-41,210, 6); Kuhl et al. (Am. Chem. Soc. 136:14,107-14,113, 7); Kuhl et al. (Energy Environ. Sci. 5:7050-7059, 8); and Hatsukade et al. (Phys. Chem. Chem. Phys. 16:13,814-13,819, 9) referenced by Kovalenko and Neburchilov (J. Mol. MODEL: 26:267-276, 3). In particular, in Figs. 2(d), 3(d), 4(d), and 5(d) (Kovalenko and Neburchilov, J. Mol. MODEL: 26:267-276, 3), the orientation of carbon monoxide is opposite to Fig. 4 (Feaster et al., ACS Catal. 7:4822-4827, 5), Fig. 6(a) (Choi et al., Sci. Rep. 7:41,207-41,210, 6), Fig. 7 (Kuhl et al., Energy Environ. Sci. 5:7050-7059, 8), Fig. 7 (Hatsukade et al., Phys. Chem. Chem. Phys. 16:13,814-13,819, 9), and Fig. 2 (Gusarov, J. Mol. MODEL: 27:344-354, 2). This obvious fact which also comes from chemical properties of components should not be ignored.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.003 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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 it