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Record W2049628540 · doi:10.1063/1.1597491

Theory of a two-step enantiomeric purification of racemic mixtures by optical means: The D2S2 molecule

2003· article· en· W2049628540 on OpenAlexaff
Ioannis Thanopulos, Petr Král, Moshe Shapiro

Bibliographic record

VenueThe Journal of Chemical Physics · 2003
Typearticle
Languageen
FieldChemistry
TopicMolecular spectroscopy and chirality
Canadian institutionsUniversity of British Columbia
FundersMinerva Foundation
KeywordsEnantiomerMoleculeRotational–vibrational spectroscopyDipoleNanosecondTandemRacemic mixtureChemistryAb initioComputational chemistryEnantiomeric excessChemical physicsStereochemistryMaterials scienceEnantioselective synthesisOrganic chemistryPhysicsLaserOptics

Abstract

fetched live from OpenAlex

We present an optical “enantio-purification switch” that turns in two steps a racemic mixture of left-handed and right-handed chiral molecules into a pure sample containing the enantiomer of interest. The optical switch is composed of an “enantio discriminator” and an “enantio converter” acting in tandem. The method is robust, insensitive to decay processes, and does not require molecular preorientation. We demonstrate the method for the nanosecond purification of a racemate of (transiently chiral) D2S2 molecules. The energies of the rovibrational states and the related dipole elements are obtained by ab initio calculations.

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)0.001
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: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.009
Threshold uncertainty score0.030

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0020.003
Scholarly communication0.0010.002
Open science0.0020.001
Research integrity0.0020.001
Insufficient payload (model declined to judge)0.0090.001

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 head0.251
Teacher spread0.242 · 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 designTheoretical or conceptual
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

Citations47
Published2003
Admission routes1
Has abstractyes

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