ChemEnv: a fast and robust coordination environment identification tool

Coordination or local environments have been used to describe, analyze and understand crystal structures for more than a century. Here, a new tool called ChemEnv, which can identify coordination environments in a fast and robust manner, is presented. In contrast to previous tools, the assessment of...

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Detalles Bibliográficos
Autores principales: Waroquiers, David, George, Janine, Horton, Matthew, Schenk, Stephan, Persson, Kristin A., Rignanese, Gian-Marco, Gonze, Xavier, Hautier, Geoffroy
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/PMC7412753/
https://www.ncbi.nlm.nih.gov/pubmed/32831287
http://dx.doi.org/10.1107/S2052520620007994

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7412753/
https://www.ncbi.nlm.nih.gov/pubmed/32831287
http://dx.doi.org/10.1107/S2052520620007994

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