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MoleCoolQt – a molecule viewer for charge-density research

MoleCoolQt is a molecule viewer for charge-density research. Features include the visualization of local atomic coordinate systems in multipole refinements based on the Hansen and Coppens formalism as implemented, for example, in the XD suite. Residual peaks and holes from XDfft are translated so th...

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Detalles Bibliográficos
Autores principales: Hübschle, Christian B., Dittrich, Birger
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3253731/
https://www.ncbi.nlm.nih.gov/pubmed/22477783
http://dx.doi.org/10.1107/S0021889810042482