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Record W3120905559 · doi:10.1139/cjc-2020-0103

Planar nitrogen compared with planar carbon in a series of compounds: the effect of replacing with nitrogen the potentially planar tetracoordinate carbon of a series of polycyclic alkanes

2021· article· en· W3120905559 on OpenAlexaffvenue
Errol G. Lewars

Bibliographic record

VenueCanadian Journal of Chemistry · 2021
Typearticle
Languageen
FieldChemistry
TopicMolecular Sensors and Ion Detection
Canadian institutionsTrent University
Fundersnot available
KeywordsTetracoordinateChemistryNitrogenCarbon fibersPlanarAb initioComputational chemistrySeries (stratigraphy)AlkaneAmmoniumCompounds of carbonHydrocarbonOrganic chemistryPaleontology

Abstract

fetched live from OpenAlex

Previous work by Radom and Rasmussen had been extended by the author (E. Lewars. 2019. Can. J. Chem. 97(2): 154) to identify a smaller (C 17 H 16 cf. C 23 H 24 ) polycyclic alkane with a potentially planar tetracoordinate “central” carbon. Here, the series of alkanes in that latter study were computationally modified by replacing the central carbon with isoelectronic nitrogen, N + . A series of six ammonium ions was found by ab initio calculations to potentially all, with one exception, harbour a planar tetracoordinate nitrogen in a potential energy relative minimum at the MP2/6-31G* and MP2/(large basis) levels, as indicated by the absence of an imaginary vibrational frequency. This is in contrast to the hydrocarbons, where only two such structures were indicated to be relative minima.

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 imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.082
Threshold uncertainty score0.997

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.005
GPT teacher head0.176
Teacher spread0.172 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations1
Published2021
Admission routes2
Has abstractyes

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