Evidence map›Paper›PMID 40942144›Full record

ArticleMolecules (Basel, Switzerland)2025

Structure and Nonlinear Spectra of the Basal Face of Hexagonal Ice: A Molecular Dynamics Study.

Konstantin S Smirnov

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

1 author.

Konstantin S SmirnovUniv. Lille, CNRS, UMR 8516- LASIRe-Laboratoire Avancé de Spectroscopie pour les Interactions la Réactivité et l'Environnement, F-59000 Lille, France.ORCID 0000-0002-8370-8797

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Structure and nonlinear spectra of the basal surface of ice Ih were investigated by molecular dynamics simulations. At a temperature significantly lower than the melting temperature Tm, the ice structure at the interface is only weakly perturbed by the presence of surface. The computed nonlinear spectrum of the interface well agrees with the experimental data and the results of the calculations provide the molecular-level interpretation of spectral features. In particular, the ice surface specific positive peaks in the Im[χ(2)] spectrum at ∼3180 cm

Indexed as

basal facehexagonal icemolecular dynamics simulationsnonlinear spectraquasi-liquid layersecond-order susceptibilitystructure

Identifiers

PMID40942144
PMCPMC12430504

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.