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Record W2087970387 · doi:10.1021/jp074816z

Solid−State NMR Determination of the Zeolite ZSM-5/<i>ortho</i>-Xylene Host−Guest Crystal Structure

2007· article· en· W2087970387 on OpenAlexaff
Colin A. Fyfe, J. S. Joseph Lee

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2007
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsMoleculeZeoliteZigzagChemistryRing (chemistry)Xylenep-XyleneNuclear magnetic resonance spectroscopySpectroscopyCrystallographyComputational chemistryStereochemistryOrganic chemistryTolueneCatalysisGeometry

Abstract

fetched live from OpenAlex

Solid-state NMR spectroscopy has been used to successfully determine the complete three-dimensional structure of the ortho -xylene−ZSM-5 zeolite complex, using complexes of three different specifically deuterated ortho -xylene molecules. The structures determined from these, at two different temperatures, using both cross polarization (CP) and CP drain experiments all agree. The ortho -xylene molecule is located at the channel intersection with one ring carbon−methyl carbon bond oriented along the straight channel while the other ring carbon−methyl carbon bond points toward the zigzag channel.

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 score0.005
Threshold uncertainty score0.424

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 science0.0010.000
Research integrity0.0000.001
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 head0.006
GPT teacher head0.287
Teacher spread0.281 · 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

Citations23
Published2007
Admission routes1
Has abstractyes

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