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Record W2156502893 · doi:10.1002/chem.201102658

Direct Observation of Activated Hydrogen Binding to a Supported Organometallic Compound at Room Temperature

2012· article· en· W2156502893 on OpenAlexaff
Jason M. Simmons, Taner Yildirim, Ahmad Hamaed, David M. Antonelli, Michael I. Webb, Charles J. Walsby

Bibliographic record

VenueChemistry - A European Journal · 2012
Typearticle
Languageen
FieldMaterials Science
TopicHydrogen Storage and Materials
Canadian institutionsSimon Fraser UniversityUniversity of Windsor
Fundersnot available
KeywordsGroup 2 organometallic chemistryHydrogenNeutron scatteringAb initioInelastic neutron scatteringChemistryCrystallographyPhysical chemistryComputational chemistryMaterials scienceNeutronMoleculeNuclear physicsOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

Supporting evidence: Supported dihydrogen–metal complexes have been proposed for room-temperature hydrogen storage, however, there has been little experimental evidence to support such predictions. Using inelastic neutron scattering and ab initio DFT, direct evidence is provided for activated formation of a dihydrogen complex in a silica-supported TiIII organometallic compound. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.

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)0.001
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 score0.016
Threshold uncertainty score0.997

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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)0.0040.000

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 head0.026
GPT teacher head0.238
Teacher spread0.212 · 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

Citations7
Published2012
Admission routes1
Has abstractyes

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