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Singular value decomposition analysis of the electron density changes occurring upon electrostatic polarization of water
In-depth elucidation of how molecules are electrically polarized would be one key factor for understanding the properties of those molecules under various thermodynamic and/or spatial conditions. Here this problem is tackled for the case of hydrogen-bonded water by conducting singular value decompos...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8979083/ https://www.ncbi.nlm.nih.gov/pubmed/35425301 http://dx.doi.org/10.1039/d1ra06649h |