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Record W4252479698 · doi:10.1139/v02-188

Local modes

2002· article· en· W4252479698 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

fundA Canadian funder is recorded on the work.
venuePublished in a venue whose home country is Canada.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueCanadian Journal of Chemistry · 2002
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsnot available
FundersMarsden FundNatural Sciences and Engineering Research Council of CanadaRoyal Society
KeywordsOvertoneAnharmonicityChemistryOvertone bandSpectral lineMolecular physicsMoleculeAtomic physicsComputational chemistryPhysicsQuantum mechanicsOrganic chemistry

Abstract

fetched live from OpenAlex

The historical background for the development of the local mode approach is reviewed, including the critical role of the radiation field. The harmonically coupled anharmonic oscillator model is described. Local modes have been used in the interpretation of XH stretching overtone spectra. These spectra can be used as sensitive probes of molecular properties such as bond length and molecular conformation. Examples of these spectral features are discussed. An intensity theory has been developed that permits the accurate calculation of relative and absolute overtone intensities. In molecules with low barriers to methyl rotation, torsional states contribute to the XH stretching band profile. A successful theoretical approach is presented that accounts for these effects and provides insight into the vibrational dynamics. The application of calculated local mode overtone spectra to atmospheric chemistry is discussed.Key words: local mode, overtone, vibrational intensity.

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.

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 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 score0.437
Threshold uncertainty score0.978

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0220.000

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 head0.011
GPT teacher head0.208
Teacher spread0.197 · 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