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Seven confluence principles: a case study of standardized statistical analysis for 26 methods that assign net atomic charges in molecules
This article studies two kinds of information extracted from statistical correlations between methods for assigning net atomic charges (NACs) in molecules. First, relative charge transfer magnitudes are quantified by performing instant least squares fitting (ILSF) on the NACs reported by Cho et al....
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058476/ https://www.ncbi.nlm.nih.gov/pubmed/35517149 http://dx.doi.org/10.1039/d0ra06392d |