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Using invariom modelling to distinguish correct and incorrect central atoms in ‘duplicate structures’ with neighbouring 3d elements

Modelling coordination compounds has been shown to be feasible using the invariom method; for the best fit to a given set of diffraction data, additional steps other than using lookup tables of scattering factors need to be carried out. Here such procedures are applied to a number of ‘duplicate stru...

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Detalles Bibliográficos
Publicado en:Acta Crystallogr B Struct Sci Cryst Eng Mater
Autores principales: Wandtke, Claudia M., Weil, Matthias, Simpson, Jim, Dittrich, Birger
Formato: Artigo
Lenguaje:Inglês
Publicado: International Union of Crystallography 2017
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC5628397/
https://ncbi.nlm.nih.gov/pubmed/28980983
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052520617010745
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