Supplemental Material

The supplementary material provides additional details on the structural differences between the use of Gaussian or point charges in the QEq formalism: A table summarising the average charges and densities for different SiO₂ polymorphs, the coordination numbers and radial distributions of Si and O, and the angular distributions of O-Si-O.

Publication Details

Journal
Figshare
Published
2025-05-02
DOI
https://doi.org/10.60893/figshare.jcp.28774460.v1
Primary Topic
Glass properties and applications
Type
article
Field-Weighted Citation Impact
0.00
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article

Supplemental Material

Figshare
Glass properties and applications
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Supplemental Material

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Abstract

The supplementary material provides additional details on the structural differences between the use of Gaussian or point charges in the QEq formalism: A table summarising the average charges and densities for different SiO₂ polymorphs, the coordination numbers and radial distributions of Si and O, and the angular distributions of O-Si-O.

Figshare
Openalex Percentile: Top 58%
Glass properties and applications
DOISourceOpenAlex
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Supplemental Material · Figshare (2025) | TGRS Research Map | TGRS