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Record W2512935158 · doi:10.15278/isms.2016.mj06

ROTATIONAL SPECTROSCOPY OF TETRAHYDRO-2-FUROIC ACID, ITS CHIRAL AGGREGATES AND ITS COMPLEX WITH WATER

2016· article· en· W2512935158 on OpenAlexaff
Yunjie Xu, Wolfgang Jäger, Javix Thomas

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsConformational isomerismIntramolecular forceSpectroscopySpectral lineRotational spectroscopyChemistrySpectrometerFourier transformFourier transform infrared spectroscopyPhotochemistryStereochemistryMoleculePhysicsOrganic chemistryOptics

Abstract

fetched live from OpenAlex

Rotational spectra of Tetrahydro-2-furoic acid (THA), a chiral acid, and its homo- and heterochiral dimers, and its complex with water have been recorded using a chirped pulse Fourier transform microwave spectrometer. This chiral acid was predicted to have nine conformers, although only the most stable one was detected experimentally and its rotational spectrum assigned. We have analyzed its intramolecular H-bonding pattern in detail. Eleven conformers have been predicted for the 1:1 hydration complex between THA and water and 14 conformers for (THA)$_{2}$. The assignments of these complexes are currently underway and will be presented.

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 score0.018
Threshold uncertainty score0.994

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)0.0070.000

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 head0.224
Teacher spread0.216 · 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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