Experimental and theoretical studies of the conformational structures of the mixed clusters of 1-cyanonaphthalene with water
Bibliographic record
Abstract
A concerted experimental (mass-selective, double-resonance laser spectroscopic technique) and theoretical (correlated quantum chemistry calculation) study of hydrogen-bonded clusters of 1-cyanonaphthalene (CNN) with water has been carried out to probe geometrical structures of the conformational isomers. The structures of the two low-energy conformers of CNN-H2O and CNN-(H2O)2, calculated at the MP2/cc-pVDZ level of theory, are consistent with the mass-selective infrared-ultraviolet double-resonance spectra and the partially resolved rotational band contours of the S1 <-- S0 origin bands. The facile loss of a neutral water molecule from the cluster ion of CNN-(H2O)2, relative to that of CNN-H2O, is in accord with the proposed structures of the clusters.
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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 | 0.001 |
| 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".