An effective introduction to structural crystallography using 1D Gaussian atoms

The most important quantitative aspects of computational structural crystallography can be introduced in a satisfactory way using 1D truncated and periodic Gaussian functions to represent the atoms in a crystal lattice. This paper describes in detail and demonstrates 1D structural crystallography st...

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Detalles Bibliográficos
Autores principales: Smith, Emily, Evans, Gwyndaf, Foadi, James
Formato: Online Artículo Texto
Lenguaje:English
Publicado: IOP Publishing 2017
Materias:
Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7655117/
https://www.ncbi.nlm.nih.gov/pubmed/33191962
http://dx.doi.org/10.1088/1361-6404/aa8188

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7655117/
https://www.ncbi.nlm.nih.gov/pubmed/33191962
http://dx.doi.org/10.1088/1361-6404/aa8188

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