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...

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Detalles Bibliográficos
Autores principales: Hübschle, Christian B., van Smaalen, Sander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5713142/
https://www.ncbi.nlm.nih.gov/pubmed/29217990
http://dx.doi.org/10.1107/S1600576717013802

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5713142/
https://www.ncbi.nlm.nih.gov/pubmed/29217990
http://dx.doi.org/10.1107/S1600576717013802

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