THE MOST STABLE ISOMER OF C4H2-(OCS)2 VAN DER WAALS COMPLEX: THEORY AND EXPERIMENT CONFIRM A STRUCTURE WITH C2 SYMMETRY
Bibliographic record
Abstract
We report the infrared spectrum of \\chem{C_4H_2}-\\chem{(OCS)_2} trimer in the region of the \\nub{1} fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet apparatus and probed using a rapid-scan tunable diode laser. Both \\chem{C_4H_2}-\\chem{(OCS)_2} and \\chem{C_4D_2}-\\chem{(OCS)_2} are studied. Analysis of their spectra establishes that the trimer has \\chem{C_2} symmetry. Theoretical calculations performed to find stationary points on the potential energy surface confirm that the experimental structure is the most stable form of the trimer. The rotational parameters computed using double hybrid functionals are in very good agreement with those obtained from the observed spectra.
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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".