A restricted dimensionality quasiclassical trajectory study of H2(v,0)+H2(v′,0)
Bibliographic record
Abstract
Quasiclassical trajectory calculations for H2(v,0)+H2(v′,0) have been carried out for collisional energies up to 350 mEh in selected geometries to elucidate the dynamical effects of various features in the potential-energy surface. The chemically accurate potential fitted by Keogh (Ph.D. Thesis, Toronto, 1992) to the ab initio points of Boothroyd et al. [J. Chem. Phys. 95, 4331 1991] was used. Geometries considered include isosceles trapezoidal, isosceles tetrahedral, and “T” conformations. For each geometry, representative trajectories are considered and the energy range is sufficient to determine and characterize the probabilities of elastic, inelastic, singly dissociative, and doubly dissociative outcomes. Also determined are the probability of exchange for the isosceles trapezoidal geometry and the probability of three body outcomes for the “T” geometry. The results are discussed in terms of the interaction potential.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".