Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB

[Image: see text] A fast and accurate operational model of electron density is crucial in many scientific disciplines including crystallography, molecular biology, pharmaceutical, and structural chemistry. In quantum crystallography, the aspherical refinement of crystal structures is becoming increa...

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Detalles Bibliográficos
Autores principales: Jha, Kunal Kumar, Gruza, Barbara, Sypko, Aleksandra, Kumar, Prashant, 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/PMC9400107/
https://www.ncbi.nlm.nih.gov/pubmed/35943747
http://dx.doi.org/10.1021/acs.jcim.2c00144

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400107/
https://www.ncbi.nlm.nih.gov/pubmed/35943747
http://dx.doi.org/10.1021/acs.jcim.2c00144

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