Why Does the Middle Band in the Absorption Spectrum of Ni(H2O)6 2+ Have Two Maxima?
Why this work is in the frame
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Bibliographic record
Abstract
The band shape observed for the 3 A 2g --> 3 T 1g ( 3 F ), 1 E g crystal field transitions ( 1 ) in the UV-NIR absorption spectrum of Ni(H 2 O) 6 2+ is analyzed with a time-dependent theoretical model and visualized in this electronic publication. The importance of fast intersystem crossings is illustrated by our animations, as is the influence of the positions of the excited-state potential energy surfaces, along both the energy and the normal coordinate axes ( 2 ). The model quantitatively reproduces the experimental spectrum between 550 and 900 nm and illustrates the important symmetry and bonding information that can be obtained from electronic spectra of transition metal compounds.
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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) | 0.002 | 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