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Record W2343861637 · doi:10.1515/zpch-2016-0759

Constrained Dipole Oscillator Strength Distributions for CF<sub>4</sub>, CClF<sub>3</sub>, CCl<sub>2</sub>F<sub>2</sub>, CCl<sub>3</sub>F, CHF<sub>3</sub>, CH<sub>3</sub>F, CH<sub>3</sub>Cl, CH<sub>3</sub>Br, CH<sub>3</sub>I, C<sub>2</sub>F<sub>6</sub>, and CCl<sub>3</sub>CF<sub>3</sub>

2016· article· en· W2343861637 on OpenAlexaff
Ashok Kumar, Ajit J. Thakkar

Bibliographic record

VenueZeitschrift für Physikalische Chemie · 2016
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicAtmospheric Ozone and Climate
Canadian institutionsUniversity of New Brunswick
Fundersnot available
KeywordsOscillator strengthDipoleChemistryMolar refractivityExcitationvan der Waals forceAtomic physicsSum rule in quantum mechanicsPolarizabilityEnergy (signal processing)Analytical Chemistry (journal)Computational chemistryPhysical chemistryPhysicsQuantum mechanicsStereochemistryMoleculeSpectral lineOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Dipole oscillator strength distributions are constructed for CF 4 , CClF 3 , CCl 2 F 2 , CCl 3 F, CHF 3 , CH 3 F, CH 3 Cl, CH 3 Br, CH 3 I, C 2 F 6 , and CCl 3 CF 3 from experimental and theoretical photoabsorption cross-sections combined with constraints provided by the Kuhn–Reiche–Thomas sum rule, the high-energy behavior of the dipole-oscillator-strength density, and either molar refractivity data or static dipole polarizabilities depending upon the availability of refractivities. The distributions are used to predict dipole sum rules S ( k ), mean excitation energies I ( k ), and van der Waals C 6 coefficients. Pseudospectral representations of the DOSDs are reported.

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)0.017
metaresearch head score (Gemma)0.010
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity
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 score0.079
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0170.010
Meta-epidemiology (narrow)0.0320.033
Meta-epidemiology (broad)0.0280.018
Bibliometrics0.0070.025
Science and technology studies0.0190.019
Scholarly communication0.0110.021
Open science0.0200.010
Research integrity0.0190.024
Insufficient payload (model declined to judge)0.0010.018

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 head0.011
GPT teacher head0.222
Teacher spread0.211 · 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; both teacher heads agree on what is shown here.

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

Citations2
Published2016
Admission routes1
Has abstractyes

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Same venueZeitschrift für Physikalische ChemieSame topicAtmospheric Ozone and ClimateFrench-language works237,207