Kinetics of CN (<i>v</i> = 1) reactions with butadiene isomers at low temperature by cw-cavity ring-down in a pulsed Laval flow with theoretical modelling of rates and entrance channel branching
Bibliographic record
Abstract
= 1) with the 1,2-butadiene isomer here for the first time. The experimental results were interpreted with the aid of variable reaction-coordinate transition-state theory calculations to determine rates and branching of the addition channels based on a high-level multireference treatment of the potential energy surface. H-abstraction reaction rates were also theoretically determined. For the 1,2-butadiene system, theoretical estimates are then combined with literature values for the energy-dependent product yields from the initial adducts to predict overall temperature-dependent product branching. H loss giving 2-cyano-1,3-butadiene + H is the main product channel, exclusive of abstraction, at all energies, but methyl loss forming 1-cyano-prop-3-yne is 15% at low temperature growing to 35% at 500 K. Abstraction forming HCN and various radicals is important at 500 K and above. The astrochemical implications of these results are discussed.
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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".