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Record W4405650678 · doi:10.26493/1855-3974.3282.6ea

Tight upper bounds for the p-anionic Clar number of fullerenes

2024· article· en· W4405650678 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueArs Mathematica Contemporanea · 2024
Typearticle
Languageen
FieldChemistry
TopicFullerene Chemistry and Applications
Canadian institutionsUniversity of Victoria
FundersNatural Sciences and Engineering Research Council of CanadaLeverhulme Trust
KeywordsFullereneCombinatoricsMathematicsUpper and lower boundsChemistryMathematical analysisOrganic chemistry

Abstract

fetched live from OpenAlex

A fullerene is an all-carbon molecule with a polyhedral structure whereeach atom is bonded to three other atoms and each face is either apentagon or a hexagon. Fullerenes correspond to 3-regular planar graphswhose faces have sizes 5 or 6. The p-anionic Clar number C_(p)(G) of afullerene G is equal to p + h, where h is maximized over all choices ofp + h independent faces (exactly p pentagons and h hexagons) thedeletion of whose vertices leave a graph with a perfect matching. Thisdefinition is motivated by the chemical observation that pentagonalrings can accommodate an extra electron, so that the pentagons of afullerene with charge −p, compete with the hexagons to host ‘Clarsextets’ of six electrons, and pentagons will preferentially acquire thep excess electrons of the anion. Tight upper bounds are established for the p-anionic Clar number offullerenes for p > 0. The upper bounds are derived via graph theoreticarguments and new results on minimal cyclic-k-edge cutsets in IPRfullerenes (fullerenes that have all pentagons pairwise disjoint). Thesebounds are shown to be tight by infinite families of fullerenes thatachieve them.

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.

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 categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.374
Threshold uncertainty score0.997

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
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)0.0040.000

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 head0.026
GPT teacher head0.292
Teacher spread0.266 · 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