Experimental charge density from electron microscopic maps
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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In this work, based on the experimental electron density, we present the approximate spatial distributions of the Pauli potential, one of the key quantities in the orbital-free density functional, for three crystalline systems: diamond, cubic boron nitride, and magnesium diboride. Our aim is to reveal a link between the Pauli potential and the orbital-free picture of chemical bond. We also expa...
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The model independent procedure of extracting charge density distributions from elastic electron scattering data is investigated. The charge density distributions are expanded on an orthonormal basis and the parameters of the expansions are fixed by the comparison with the experimental data. Two bases with different analytical properties (Fourier-Bessel and Hermite) are used. This allows us to ...
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ژورنال
عنوان ژورنال: Protein Science
سال: 2017
ISSN: 0961-8368
DOI: 10.1002/pro.3198