The electrostatic potential of dynamic charge densities
A procedure to derive the electrostatic potential (ESP) for dynamic charge densities obtained from structure models or maximum-entropy densities is introduced. The ESP essentially is obtained by inverse Fourier transform of the dynamic structure factors of the total charge density corresponding to t...
| Publié dans: | Journal of applied crystallography. - 1998. - 50(2017), Pt 6 vom: 01. Dez., Seite 1627-1636 |
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| Auteur principal: | |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2017
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| Accès à la collection: | Journal of applied crystallography |
| Sujets: | Journal Article X-ray diffraction charge density electron density electrostatic potential multipole model |
| Accès en ligne |
Volltext |