Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Impact of Surrounding Atoms on Electron Density from Cluster Analysis

[Image: see text] The multipole model (MM) uses an aspherical approach to describe electron density and can be used to interpret data from X-ray diffraction in a more accurate manner than using the spherical approximation. The MATTS (multipolar atom types from theory and statistical clustering) data...

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Detalles Bibliográficos
Autores principales: Rybicka, Paulina Maria, Kulik, Marta, Chodkiewicz, Michał Leszek, Dominiak, Paulina Maria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400106/
https://www.ncbi.nlm.nih.gov/pubmed/35943739
http://dx.doi.org/10.1021/acs.jcim.2c00145

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400106/
https://www.ncbi.nlm.nih.gov/pubmed/35943739
http://dx.doi.org/10.1021/acs.jcim.2c00145

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