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Record W4253441560 · doi:10.1002/qua.25738

Issue Information

2019· paratext· en· W4253441560 on OpenAlexfundno aff

Bibliographic record

VenueInternational Journal of Quantum Chemistry · 2019
Typeparatext
Languageen
FieldEnergy
TopicAdvanced Photocatalysis Techniques
Canadian institutionsnot available
FundersDebreceni EgyetemIndian Institute of Technology BombayAuburn UniversityUniversity of WaterlooWaseda UniversityUtah State UniversityKanagawa Academy of Science and TechnologyUniversity of North TexasTulane UniversityMichigan State UniversityUniversitetet i TromsøGeorgia Institute of TechnologyCollege of Engineering, Michigan State UniversityHelsingin Yliopisto
KeywordsCitationComputer scienceInformation retrievalWorld Wide WebLibrary science

Abstract

fetched live from OpenAlex

In article e25871, Hongshan Chen and colleagues investigate the low-energy structures of Al 6 Na m C (m = 2, 4, 6, 8) clusters and their electronic structures by using genetic algorithm combined with density functional theory and configuration interaction methods.The carbon atom doping in Al-Na clusters depresses the potential in the inner cluster, stabilising the 2S/2P orbitals considerably, with respect to the pure metal clusters.The 26 valence electrons of Al 6 Na 4 C form closed electronic shells with configuration 1S 2 1P 6 2S 2 2P 6 1D 10 , resulting in a new magic structure with enhanced stability and large energy gap.The Al 6 C unit forms a 4-anion making Al 6 Na 4 C a potential building block for cluster assembled materials.

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)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.179
Threshold uncertainty score0.255

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.004
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.001
Science and technology studies0.0010.000
Scholarly communication0.0050.003
Open science0.0010.002
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.8210.620

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 head0.010
GPT teacher head0.303
Teacher spread0.293 · 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; the direct Gemma label and the distilled Codex classifier agree on what is shown here.

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
Published2019
Admission routes1
Has abstractyes

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