Acta Cryst. (2002). B58, 780-785 [ doi:10.1107/S0108768102012338 ]
Abstract: The localized-orbital locator, which describes the features of bonding in terms of the local kinetic energy, is approximately expressed as a function of electron density and its first and second derivatives. Calculations based on accurate electron densities derived from X-ray diffraction data are carried out for crystals with different types of chemical bonds. It is demonstrated that the localized-orbital locator reveals the features of atomic interactions in a solid state and allows the covalent, ionic and van der Waals bonds to be distinguished.
Keywords: experimental electron density; localized-orbital locator.
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