Computing stoichiometric molecular composition from crystal structures

Crystallographic investigations deliver high-accuracy information about positions of atoms in crystal unit cells. For chemists, however, the structure of a molecule is most often of interest. The structure must thus be reconstructed from crystallographic files using symmetry information and chemical...

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Detalles Bibliográficos
Autores principales: Gražulis, Saulius, Merkys, Andrius, Vaitkus, Antanas, Okulič-Kazarinas, Mykolas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4453171/
https://www.ncbi.nlm.nih.gov/pubmed/26089747
http://dx.doi.org/10.1107/S1600576714025904

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4453171/
https://www.ncbi.nlm.nih.gov/pubmed/26089747
http://dx.doi.org/10.1107/S1600576714025904

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