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Figure 10
Resolution-dependent all-ED distributions [S_{n,{\rm{val}}}^\circ ({\bf{r}} )] in CaB6 from val-ED synthesis [equation (19)[link]] for each resolution indicated using method Lan1D. (a)–(c) employing exponent p = 1.0; (d)–(f) p = 2.75. The molecular graphs with b.c.p.'s (green), r.c.p.'s (blue) and c.c.p.'s (black) are shown; isolines are drawn at intervals of 0.01 e bohr−3. Note that the topology of (d) is substantially different from all the other ones: there is an NNM at the octahedron centre, and b.c.p.(B–Bendo) and r.c.p.(B3) are missing.

ISSN: 2053-2733
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