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Record W2047134124 · doi:10.1088/0953-8984/14/23/104

Experimental determination of the electron density of liquid H<sub>2</sub>O and D<sub>2</sub>O

2002· article· en· W2047134124 on OpenAlex
Jöerg C. Neuefeind, Chris J. Benmore, Bruno Tomberli, P. A. Egelstaff

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of Physics Condensed Matter · 2002
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of Guelph
Fundersnot available
KeywordsElectron densityIntermolecular forceDiffractionElectronElectron diffractionChemistryLiquid waterAtom (system on chip)Atomic physicsCompton scatteringHydrogen atomHydrogen bondScatteringElectron localization functionCrystallographyMolecular physicsPhysicsThermodynamicsMoleculeQuantum mechanics

Abstract

fetched live from OpenAlex

X-diffraction experiments on liquids are most commonly analysed within the independent atom approximation (IAA), despite the fact that compounds of light elements may show deviations from this simple approximation. An analysis of high energy x-ray diffraction data on liquid water in terms of the electron density auto-correlation function is given. The analysis shows that some but not all deviations from the IAA can be accounted for by a charged atom model. This corroborates findings from Compton scattering experiments on solid water that the nature of hydrogen bonding is at least partly covalent. The electron densities in H2O and D2O are found to be indistinguishable within the limits of the present experiments. This is in agreement with the interpretation of the differences in the intermolecular structure of H2O and D2O as being quantum mechanical in origin, and not the effect of a differing interaction potential.

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.

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 categoriesnone
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 score0.013
Threshold uncertainty score0.671

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 science0.0000.000
Research integrity0.0000.000
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 head0.009
GPT teacher head0.226
Teacher spread0.218 · 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