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Record W4205472892 · doi:10.1002/chem.202081563

Frontispiece: Double Chalcogen Bonds: Crystal Engineering Stratagems via Diffraction and Multinuclear Solid‐State Magnetic Resonance Spectroscopy

2020· paratext· en· W4205472892 on OpenAlexaff
Vijith Kumar, Yijue Xu, David L. Bryce

Bibliographic record

VenueChemistry - A European Journal · 2020
Typeparatext
Languageen
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsChalcogenSynthonChemistryCrystallographyTelluriumSupramolecular chemistryNuclear magnetic resonance spectroscopySolid-state nuclear magnetic resonanceSolid-stateCrystal structureStereochemistryNuclear magnetic resonancePhysical chemistryInorganic chemistryPhysics

Abstract

fetched live from OpenAlex

Chalcogen bonds (ChB) are developed as crystal engineering tools. Dicyanoselenadiazole and dicyanotelluradiazole derivatives are promising supramolecular synthons with the ability to form double chalcogen bonds with a wide range of electron donors including halides and oxygen- and nitrogen-containing heterocycles. An extensive 77Se and 125Te solid-state nuclear magnetic resonance spectroscopic investigation of a large series of cocrystals establishes correlations between the NMR parameters of selenium and tellurium and the local ChB geometry. For more information. See the Full Paper by D. L. Bryce et al. on page 3275 ff.

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)0.001
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: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.219
Threshold uncertainty score0.733

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0020.002
Science and technology studies0.0010.001
Scholarly communication0.0020.001
Open science0.0010.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.2190.128

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 head0.226
Teacher spread0.218 · 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 designNot applicable
Domainnot available
GenreOther

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
Published2020
Admission routes1
Has abstractyes

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