Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models

A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter’s search criteria and performs structure refinements on them without hu...

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Detalles Bibliográficos
Autores principales: Yang, Long, Juhás, Pavol, Terban, Maxwell W., Tucker, Matthew G., Billinge, Simon J. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7233026/
https://www.ncbi.nlm.nih.gov/pubmed/32356790
http://dx.doi.org/10.1107/S2053273320002028

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7233026/
https://www.ncbi.nlm.nih.gov/pubmed/32356790
http://dx.doi.org/10.1107/S2053273320002028

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