Further Validation of Quantum Crystallography Approaches

Quantum crystallography is a fast-developing multidisciplinary area of crystallography. In this work, we analyse the influence of different charge density models (i.e., the multipole model (MM), Hirshfeld atom refinement (HAR), and the transferable aspherical atom model (TAAM)), modelling of the the...

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Detalles Bibliográficos
Autores principales: Wanat, Monika, Malinska, Maura, Hoser, Anna A., Woźniak, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8233966/
https://www.ncbi.nlm.nih.gov/pubmed/34207308
http://dx.doi.org/10.3390/molecules26123730

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8233966/
https://www.ncbi.nlm.nih.gov/pubmed/34207308
http://dx.doi.org/10.3390/molecules26123730

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