Real Space Refinement of Crystal Structures with Canonical Distributions of Electrons

Recurring groups of atoms in molecules are surrounded by specific canonical distributions of electrons. Deviations from these distributions reveal unrealistic molecular geometries. Here, we show how canonical electron densities can be combined with classical electron densities derived from X-ray dif...

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Detalles Bibliográficos
Autores principales: Ginzinger, Simon W., Gruber, Markus, Brandstetter, Hans, Sippl, Manfred J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cell Press 2011
Materias:
Technical Advance
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3234344/
https://www.ncbi.nlm.nih.gov/pubmed/22153496
http://dx.doi.org/10.1016/j.str.2011.10.011

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3234344/
https://www.ncbi.nlm.nih.gov/pubmed/22153496
http://dx.doi.org/10.1016/j.str.2011.10.011

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