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Apples to apples comparison of standardized to unstandardized principal component analysis of methods that assign partial atomic charges in molecules
Articles by Cho et al. (ChemPhysChem, 2020, 21, 688–696) and Manz (RSC Adv., 2020, 10, 44121–44148) performed unstandardized and standardized, respectively, principal component analysis (PCA) to study atomic charge assignment methods for molecular systems. Both articles used subsets of atomic charge...
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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/PMC9632604/ https://www.ncbi.nlm.nih.gov/pubmed/36380924 http://dx.doi.org/10.1039/d2ra06349b |