State‐to‐state photodissociation dynamics of the water molecule
Why this work is in the frame
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Bibliographic record
Abstract
Photodissociation provides an ideal proving ground for an in‐depth understanding of the microscopic mechanism and dynamics of bond breaking processes at a state‐to‐state level. After a brief outline of the requisite theory, we review the latest developments on the state‐to‐state photodissociation dynamics of the water molecule via the lowest two excited states, focusing on the absorption spectrum and product state distributions. A detailed discussion is given on the competition between different adiabatic and nonadiabatic pathways of the dissociation. Quantum mechanical studies of this prototypical system on accurate coupled potential energy surfaces not only offer an interpretation of the existing experimental results but also provide a clear and comprehensive dynamical picture of water photodissociation. WIREs Comput Mol Sci 2018, 8:e1350. doi: 10.1002/wcms.1350 This article is categorized under: Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics
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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 | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.002 |
| 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