Experimental and Theoretical Study of the O(<sup>1</sup>D) + HD Reaction
Bibliographic record
Abstract
This work addresses the kinetics and dynamics of the gas-phase reaction between O(1D) and HD molecules down to low temperature. Here, measurements were performed by using a supersonic flow (Laval nozzle) reactor coupled with pulsed laser photolysis for O(1D) production and pulsed-laser-induced fluorescence for O(1D) detection to obtain rate constants over the 50–300 K range. Additionally, temperature-dependent branching ratios (OD + H/OH + D) were obtained experimentally by comparison of the H/D atom atom yields with those of a reference reaction. In parallel, theoretical rate constants and branching ratios were calculated by using three different techniques; mean potential phase space theory (MPPST), the statistical quantum mechanical method (SQM), and ring polymer molecular dynamics (RPMD). Although the agreement between experimental and theoretical rate constants is reasonably good, with differences not exceeding 30% over the entire temperature range, the theoretical branching ratios derived by the MPPST and SQM methods are as much as 50% larger than the experimental ones. These results are presented in the context of earlier work, while the possible origins of the discrepancies between experiment and theory are discussed.
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How this classification was reachedexpand
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 | 0.000 | 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) | 0.000 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".