Chemical Structure from Scientific Research

Difference potential maps of the vicinity of the Al site in CAP based on the final models with hydrogen atoms removed. Yellow isosurfaces correspond to the 3 [V ( r )] level, orange isosurfaces to the 5 [V ( r )] level. The maps are superimposed with structure models with expected locations of hydrogen sites indicated by pale-pink lines from the respectively bonded C or O atom. Anisotropic displacement ellipsoids shown at the 50% probability level.

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