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
Main Authors: Ginzinger, Simon W., Gruber, Markus, Brandstetter, Hans, Sippl, Manfred J.
Formato: Artigo
Idioma:Inglês
Publicado: Cell Press 2011
Assuntos:
Technical Advance
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3234344/
https://ncbi.nlm.nih.gov/pubmed/22153496
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.str.2011.10.011
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