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Record W1680631218 · doi:10.1063/1.3222640

Weakly bound complexes trapped in quantum matrices: Structure, energetics, and isomer coexistence in (para-H2)N(ortho-D2)3 clusters

2009· article· en· W1680631218 on OpenAlexafffund
Javier Eduardo Cuervo, Pierre–Nicholas Roy

Bibliographic record

VenueThe Journal of Chemical Physics · 2009
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum, superfluid, helium dynamics
Canadian institutionsUniversity of WaterlooUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsEnergeticsQuantumChemistryCrystallographyPhysicsChemical physicsQuantum mechanicsThermodynamics

Abstract

fetched live from OpenAlex

The ground state of mixed (para-H(2))(N)(ortho-D(2))(3) clusters of sizes ranging from N=8 to 37 is examined by means of the path integral ground state method. The chemical potential is calculated and reveals that magic numbers are consistent with those found in pure para-H(2) and ortho-D(2) clusters. The structural features of the mixed clusters are examined by analyzing density profiles, one-dimensional Pekeris distribution functions of the (ortho-D(2))(3) subsystem, and by direct visualization of density isosurfaces of the systems. The heavier (ortho-D(2))(3) complex resides in the center of the cluster for the various sizes under consideration. It is found that certain cluster sizes favor either equilateral, or near-linear isosceles (ortho-D(2))(3) configurations, while others show a coexistence between those two triangular geometries.

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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.747
Threshold uncertainty score0.813

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
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 head0.014
GPT teacher head0.254
Teacher spread0.240 · 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

Citations28
Published2009
Admission routes2
Has abstractyes

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