Systematic Experimental Charge Density: Linking Structural Modifications to Electron Density Distributions
نویسندگان
چکیده
منابع مشابه
Experimental charge density from electron microscopic maps.
The charge density (CD) distribution of an atom is the difference per unit volume between the positive charge of its nucleus and the distribution of the negative charges carried by the electrons that are associated with it. The CDs of the atoms in macromolecules are responsible for their electrostatic potential (ESP) distributions, which can now be visualized using cryo-electron microscopy at h...
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Experimental charge density distribution studies of two polymorphic forms of piroxicam, β-piroxicam (1) and piroxicam monohydrate (2), were carried out via high-resolution single crystal X-ray diffraction experiments and multipole refinement. The asymmetric unit of (2) consists of two discrete piroxicam molecules, (2a) and (2b), and two water molecules. Geometry differs between (1) and (2) due ...
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ژورنال
عنوان ژورنال: Chemistry Letters
سال: 2015
ISSN: 0366-7022,1348-0715
DOI: 10.1246/cl.140929