Infrared Spectrum of the Protonated Water Dimer in the Gas Phase
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Bibliographic record
Abstract
The frequency-dependent gas-phase infrared multiple photon dissociation (IRMPD) spectrum for the proton-bound dimer of water is reported. The present spectrum is shown to be only in fair agreement with a spectrum reported in an earlier communication but is in agreement with spectra predicted by theoretical means. Two different possible assignments of the observed infrared bands are provided. The first is based on the harmonic oscillator approximation from density functional theory calculations, and a second is based on a quantum four-dimensional model calculation of anharmonic frequencies and intensities. Both calculated spectra agree fairly well, but the density functional calculation assignments are in better agreement. This is expected despite the anharmonic nature of the asymmetric stretch due to the flat potential energy surface associated with this mode.
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Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it