Bibliographic record
Abstract
Abstract Bond orders are calculated at the Hartree–Fock and second‐order, Møller–Plesset (MP2) level for 324 distinct ring bonds in 60 heterocyclic molecules. These include benzene and 12 azines, pyrrole and 9 azoles, furan and 9 oxazoles, thiophene and 8 thiazoles, boroxine, trioxadiborole, borazine and 9 azaborinines, 3 azaboroles, and 3 oxazaboroles. The correlated bond orders are generally, but not always, smaller than their Hartree–Fock counterparts. Gordy bond orders differ from the ab initio ones by large amounts. A plot of MP2 bond orders versus bond lengths shows clearly that an empirical Gordy‐type relationship cannot be very accurate. Some trends in bond orders are identified. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
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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) | 0.003 | 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 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".