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Record W2140598643 · doi:10.1139/cjc-2014-0354

Inducing chirality ex nihilo by an electric field

2014· article· en· W2140598643 on OpenAlexvenueno aff
Joel L. Wolk, Shmaryahu Hoz

Bibliographic record

VenueCanadian Journal of Chemistry · 2014
Typearticle
Languageen
FieldChemistry
TopicMolecular spectroscopy and chirality
Canadian institutionsnot available
FundersGaussian
KeywordsChemistryChirality (physics)MoleculeElectric fieldAb initio quantum chemistry methodsHydrogen bondOptical rotationAb initioChemical physicsComputational chemistryCrystallographyMolecular physicsOrganic chemistryPhysicsQuantum mechanics

Abstract

fetched live from OpenAlex

Ab initio calculations show that an external electric field can induce chirality in achiral molecules, depending on the orientation of the molecule with respect to the field. Thus, for prochiral molecules such as glycine and CH 2 ClF, a field oriented along one of the C–H bonds will induce chirality by rendering the two hydrogen atoms nonequivalent. In the case of ethylene, methane, and CCl 4 , optical activity will be gained only when the positioning of the molecules with respect to the field will render the four substituents nonequivalent. Of the molecules studied, the strongest effect was obtained for glycine and the weakest for methane. Differences were also observed in the effect of reversing the direction of the field. In addition, for glycine, a very strong dependence was obtained for the optical rotation on the wavelength between 200 and 225 nm.

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 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 score0.060
Threshold uncertainty score0.998

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 science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.006
GPT teacher head0.218
Teacher spread0.213 · 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

Citations6
Published2014
Admission routes1
Has abstractyes

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