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Record W2901587020 · doi:10.15278/isms.2018.we04

π-π STACKING IN COMPETITION WITH HYDROGEN BONDING IN THE 1-NAPHTOL DIMER: A CP-FTMW SPECTROSCOPY STUDY

2018· article· en· W2901587020 on OpenAlexaff
Wolfgang Jäger, Arsh S. Hazrah, Nathan A. Seifert

Bibliographic record

VenueProceedings of the 73rd International Symposium on Molecular Spectroscopy · 2018
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsHydrogen bondDimerStackingChemistryIntermolecular forceSpectroscopyConformational isomerismCrystallographyInfrared spectroscopyComputational chemistryMoleculePhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

The 2-methoxybenzoic acid (\\textit{o}-anisic acid) and its complexes with water have been studied in the 2-12 GHz frequency region combining chirped-pulse Fourier transform microwave spectroscopy (CP-FTMW) and molecular Fourier transform microwave spectroscopy (MB-FTMW). \\textit{o}-Anisic acid has been vaporized using a heating nozzle were it partially reacts through a recombination reactions to give a series of products which have been all identified from its microwave spectra. Apart from these species, three different conformations for \\textit{o}-anisic acid, with distinct dispositions of carboxylic group, and two for the 1:1 water complex have been observed. For the lowest energy conformer of the monomer and the most abundant water complex, the spectra of various isotopologues have been measured and the molecular structures have been determined. Relative intensity measurements have been done to provide a better understanding of the complex formation in the supersonic expansion.

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 score0.078
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0020.000
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 head0.005
GPT teacher head0.250
Teacher spread0.245 · 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

Citations1
Published2018
Admission routes1
Has abstractyes

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