Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off

Aspherical atom refinement is the key to achieving accurate structure models, displacement parameters, hydrogen-bond lengths and analysis of weak interactions, amongst other examples. There are various quantum crystallographic methods to perform aspherical atom refinement, including Hirshfeld atom r...

Descripción completa

Detalles Bibliográficos
Autores principales: Jha, Kunal Kumar, Kleemiss, Florian, Chodkiewicz, Michał Leszek, Dominiak, Paulina Maria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9901929/
https://www.ncbi.nlm.nih.gov/pubmed/36777135
http://dx.doi.org/10.1107/S1600576722010883

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9901929/
https://www.ncbi.nlm.nih.gov/pubmed/36777135
http://dx.doi.org/10.1107/S1600576722010883

Ejemplares similares