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Record W4322492087 · doi:10.1063/5.0142123

Doped rare gas clusters up to completion of first solvation shell, CO2–(Rg)n, n = 3–17, Rg = Ar, Kr, Xe

2023· article· en· W4322492087 on OpenAlexafffund
A. J. Barclay, A. R. W. McKellar, N. Moazzen‐Ahmadi

Bibliographic record

VenueThe Journal of Chemical Physics · 2023
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsNational Research Council CanadaUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistrySolvationCluster (spacecraft)Rare gasSpectral lineAtomic physicsAtom (system on chip)Shell (structure)MoleculeSolvation shellKryptonMolecular physicsInfrared spectroscopyDopingOpen shellXenonMaterials sciencePhysics

Abstract

fetched live from OpenAlex

Spectra of rare gas atom clusters containing a single carbon dioxide molecule are observed using a tunable mid-infrared (4.3 µm) source to probe a pulsed slit jet supersonic expansion. There are relatively few previous detailed experimental results on such clusters. The assigned clusters include CO2–Arn with n = 3, 4, 6, 9, 10, 11, 12, 15, and 17, and CO2–Krn and CO2–Xen with n = 3, 4, and 5. Each spectrum has (at least) a partially resolved rotational structure, and each yields precise values for the shift of the CO2 vibrational frequency (ν3) induced by the nearby rare gas atoms, together with one or more rotational constants. These results are compared with theoretical predictions. The more readily assigned CO2–Arn species tend to be those with symmetric structures, and CO2–Ar17 represents completion of a highly symmetric (D5h) solvation shell. Those not assigned (e.g., n = 7 and 13) are probably also present in the observed spectra but with band structures that are not well-resolved and, thus, are not recognizable. The spectra of CO2–Ar9, CO2–Ar15, and CO2–Ar17 suggest the presence of sequences involving very low frequency (≈2 cm−1) cluster vibrational modes, an interpretation which should be amenable to theoretical confirmation (or rejection).

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.003
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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)0.0020.000

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 head0.023
GPT teacher head0.268
Teacher spread0.245 · 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 source (direct Gemma or distilled Codex), 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

Citations8
Published2023
Admission routes2
Has abstractyes

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