MétaCan
Menu
Back to cohort
Record W2004948909 · doi:10.1039/c3cp52548a

Calculating and assigning rovibrational energy levels of (15N2O)2, (15N14NO)2, 14N2O–15N2O and 15N14NO–15N2O

2013· article· en· W2004948909 on OpenAlexafffund
James Brown, Xiaogang Wang, Tucker Carrington

Bibliographic record

VenuePhysical Chemistry Chemical Physics · 2013
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsRotational–vibrational spectroscopyIsotopologueChemistryPolarIntermolecular forceLanczos resamplingWave functionDimerRotational spectroscopyLanczos algorithmPotential energyAtomic physicsPotential energy surfaceRotational energyNitrous oxideBasis setRotational transitionMolecular physicsComputational chemistryExcited statePhysicsMoleculeQuantum mechanics

Abstract

fetched live from OpenAlex

In this paper we report transition frequencies and rotational constants computed for several isotopologues of the nitrous oxide dimer. A previously reported intermolecular potential, the symmetry adapted Lanczos algorithm and an uncoupled product basis set are used to do the calculations. Rotational transition frequencies and rotational constants are in good agreement with experiment. We calculate states localized in both polar and nonpolar wells on the potential surface. Two of the four isotopologues we study have inequivalent monomers. They have wavefunctions localized over a single polar well.

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 categoriesMeta-epidemiology (narrow)
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 score0.037
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
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 head0.008
GPT teacher head0.224
Teacher spread0.216 · 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.

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

Citations4
Published2013
Admission routes2
Has abstractyes

Explore more

Same venuePhysical Chemistry Chemical PhysicsSame topicMolecular Spectroscopy and StructureFrench-language works237,207