Computer study of absorption of oxygen and ozone molecules by water clusters with Cl<sup>–</sup> and Br<sup>–</sup>
Bibliographic record
Abstract
Infrared absorption and Raman spectra were calculated by using the molecular dynamics method for water clusters with chlorine and bromine ions in a medium of water and either ozone or oxygen molecules. The intensity of IR absorption spectra of clusters with absorbed oxygen increased and that of clusters with absorbed ozone decreased as the number of chlorine ions grew. When Br– were present in the system the inverse behaviour was observed. An increase in the number of ions weakened the intensity of the Raman spectra when either oxygen or ozone was absorbed; for ozone this weakening was more noticeable. A stronger reduction of the integrated intensity of the Raman spectrum with an increase in the number of Br– was observed in the presence of ozone molecules in the system. Cl– ions caused an amplification of the emission power of the IR radiation for both systems in the presence of oxygen and ozone, and Br– strengthened the emission of IR radiation for systems containing ozone, and weakened it for systems with oxygen molecules.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 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) | 0.003 | 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 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".