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Figure 2
Isosurface of the electron density difference. The isosurface is plotted for a value of 0.2 e Å−3 and shows those regions in which the electron density, after reaching self-consistency, is larger than the electron density obtained by overlapping electron densities of non-interacting atoms. Clearly, there is charge accumulation halfway along each of the four C—O vectors, which is indicative of the formation of covalent bonds.

ISSN: 2052-5206
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