Comparison of the Electron Localization Function and Deformation Electron Density Maps for Selected Earth Materials
نویسندگان
چکیده
منابع مشابه
Comparison of the electron localization function and deformation electron density maps for selected earth materials.
The electron localization function (ELF) and experimental and theoretical deformation electron density maps are compared for several earth materials and one representative molecule. The number and arrangement of the localized one-electron probability density domains generated in a mapping of the ELF correspond to the number and arrangement of the localized electron density domains generated in ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2005
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp052661u