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Record W6884490526 · doi:10.1021/jp406821g.s001

Rotational Spectra and Structures of the van der Waals\nDimers of Argon with 2‑Fluoropyridine and 3‑Fluoropyridine

2016· article· en· W6884490526 on OpenAlexaff

Bibliographic record

VenueFigshare · 2016
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsUniversity of Manitoba
Fundersnot available
Keywordsvan der Waals forceVan der Waals strainArgonVan der Waals moleculeQuadrupoleVan der Waals radiusAtom (system on chip)Rotational spectroscopyRotational energy

Abstract

fetched live from OpenAlex

The ground state rotational spectra\nof the van der Waals dimers\nof 2-fluoropyridine and 3-fluoropyridine with argon have been investigated\nusing both Fourier transform microwave (FTMW) and chirped-pulse Fourier\ntransform microwave (cp-FTMW) spectroscopies between 4 and 26 GHz.\nThe rotational constants and <sup>14</sup>N nuclear quadrupole coupling\nconstants derived from fitting the observed transitions were used\nto estimate the van der Waals coordinates of the two complexes. These\nare in good agreement with the lowest energy structures determined\nvia MP2 calculations (6-311++G­(2d, 2p)) and have the Ar atom sitting\nabove the plane of the aromatic ring. The center of mass separation\nof the two moieties in the dimers is between 3.5 and 3.6 Å and\nthe Ar atom lies 5–11° off the monomer <i>c</i>′-axis toward the nitrogen atom of the pyridine backbone.

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 categoriesInsufficient payload (model declined to judge)
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 score0.055
Threshold uncertainty score0.961

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)0.0400.000

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 head0.007
GPT teacher head0.210
Teacher spread0.203 · 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.

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

Citations0
Published2016
Admission routes1
Has abstractyes

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