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Record W2801779442 · doi:10.1039/c8sc01094c

<sup>79/81</sup>Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies

2018· article· en· W2801779442 on OpenAlexafffund
Paolo Cerreia Vioglio, Patrick M. J. Szell, Michele R. Chierotti, Roberto Gobetto, David L. Bryce

Bibliographic record

VenueChemical Science · 2018
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaIstituto Nazionale Previdenza Sociale
KeywordsNuclear quadrupole resonanceCharacterization (materials science)Supramolecular chemistryHalogenQuadrupoleHalogen bondResonance (particle physics)CrystallographyChemistryMaterials scienceNuclear magnetic resonancePhysical chemistryNanotechnologyAtomic physicsPhysicsOrganic chemistryCrystal structure

Abstract

fetched live from OpenAlex

One- and two-dimensional bromine-79/81 NQR spectroscopy of halogen bond donors in a series of cocrystals shows changes in resonance frequency of up to 20 MHz and differentiates between crystallographically non-equivalent bromine sites.

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 score0.012
Threshold uncertainty score0.570

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
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 head0.008
GPT teacher head0.249
Teacher spread0.241 · 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

Citations29
Published2018
Admission routes2
Has abstractyes

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