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Record W4221104848 · doi:10.1039/d2cp00263a

Weakly-bound clusters of atmospheric molecules: infrared spectra and structural calculations of (CO<sub>2</sub>)<sub><i>n</i></sub>–(CO)<sub><i>m</i></sub>–(N<sub>2</sub>)<sub><i>p</i></sub>, (<i>n</i>,<i>m</i>,<i>p</i>) = (2,1,0), (2,0,1), (1,2,0), (1,0,2), (1,1,1), (1,3,0), (1,0,3), (1,2,1), (1,1,2)

2022· article· en· W4221104848 on OpenAlexafffund
A. J. Barclay, A. R. W. McKellar, Andrea Pietropolli Charmet, N. Moazzen‐Ahmadi

Bibliographic record

VenuePhysical Chemistry Chemical Physics · 2022
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsNational Research Council CanadaUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaUniversità Ca' Foscari di Venezia
KeywordsDimerChemistryMoleculeIntermolecular forceSpectral lineInfrared spectroscopyCrystallographyMonomerInfraredSpectroscopyMolecular physicsPhysicsOpticsPolymer

Abstract

fetched live from OpenAlex

Structural calculations and high-resolution infrared spectra are reported for trimers and tetramers containing CO 2 together with CO and/or N 2 .

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
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 score0.009
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0040.005
Meta-epidemiology (broad)0.0050.003
Bibliometrics0.0000.004
Science and technology studies0.0020.004
Scholarly communication0.0010.001
Open science0.0040.002
Research integrity0.0020.006
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 head0.008
GPT teacher head0.234
Teacher spread0.227 · 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; both teacher heads agree on what is shown here.

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

Citations5
Published2022
Admission routes2
Has abstractyes

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