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...
| Veröffentlicht in: | Journal of applied crystallography. - 1998. - 50(2017), Pt 6 vom: 01. Dez., Seite 1627-1636 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2017
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| Zugriff auf das übergeordnete Werk: | Journal of applied crystallography |
| Schlagworte: | Journal Article X-ray diffraction charge density electron density electrostatic potential multipole model |
| Online verfügbar |
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