Bibliographic record
Abstract
Abstract Our ab initio all‐electron relativistic Dirac–Fock (DF) and nonrelativistic (NR) Hartree–Fock (HF) limit self‐consistent field molecular calculations predict the existence of radon carbonyl RnCO with the predicted dissociation energy of 4.81 and 4.22 eV, respectively. The calculations were performed for the linear RnCO at Rn–C and C–O bond distances of 2.38 and 1.12 Å, respectively. The relativistic DF dissociation (atomization) energy of the cation RnCO + is, however, calculated to be 6.31 eV, indicating thereby that the highest occupied molecular spinor of RnCO is an antibonding molecular spinor. The ionization potential of RnCO calculated with our relativistic DF and NR HF wavefunctions is 7.73 and 7.99 eV, respectively. Mulliken population analysis of our relativistic DF (NR HF) wavefunction for RnCO yields population on C and O of −0.26 and +0.31 (−0.39 and −0.08), respectively. The bond dissociation energy of Rn–CO is calculated to be ∼28 kcal/mol. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".