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Record W3202649081 · doi:10.15278/isms.2021.fi13

TUNNELING DYNAMICS IN <span class="roman">N</span><sub><span class="roman">2</span></sub>−<span class="roman">D</span><sub><span class="roman">2</span></sub><span class="roman">O</span> OBSERVED IN THE <span class="roman">OD</span> STRETCHING REGION

2021· article· en· W3202649081 on OpenAlexaffabout
Robin Glorieux, N. Moazzen‐Ahmadi, Michel Herman, A. J. Barclay, Clément Lauzin

Bibliographic record

VenueProceedings of the 2021 International Symposium on Molecular Spectroscopy · 2021
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsSpan (engineering)Life spanQuantum tunnellingClass (philosophy)PhysicsComputer scienceEngineeringGerontologyQuantum mechanicsStructural engineeringMedicineArtificial intelligence

Abstract

fetched live from OpenAlex

The rovibrational spectra of \\chem{N_2-D_2O} and \\chem{N_2-DOH} were measured around the \\chem{OD} stretching region. A combination band involving the in-plane \\chem{N_2} bend intermolecular vibration was also observed in the same frequency range. These bands were measured at the University of Calgary using a pulsed-slit supersonic jet expansion and a mid-infrared tunable optical parametric oscillator. The spectra were analyzed by considering the feasible tunneling motions and fit to a series of independent asymmetric rotors. The rotational constants of the four tunneling components of \\chem{N_2-D_2O} were retrieved for the excited vibrational states. Small vibrational blue shifts of $0.6~\\wn$ and $1.8~\\wn$ compared to the \\chem{D_2O} monomer band origins were determined for the symmetric and asymmetric stretches, respectively. A two order of magnitude larger tunneling splittings is observed for the asymmetric \\chem{OD} stretching excitation compared to the symmetric one. This last finding indicate a significant change of the intermolecular dynamics due to the intramolecular asymmetric \\chem{OD} vibration.

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)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.007
Threshold uncertainty score0.024

Distilled classifier scores by category (both heads)

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)0.0070.000

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 head0.010
GPT teacher head0.238
Teacher spread0.228 · 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 source (direct Gemma or distilled Codex), 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

Citations0
Published2021
Admission routes2
Has abstractyes

Explore more

Same venueProceedings of the 2021 International Symposium on Molecular SpectroscopySame topicMolecular Spectroscopy and StructureFrench-language works237,207