fig2
Figure 2. Relation between the gross orbital population (GOP). (A) 3S; (B) 3PX; (C) 4S; and (D) 4PX and the shielding constant, and the relation between the coordination number (rmax = 4.0 Å) and GOP; (E) 3S and (F) 3PX.
Journal of Materials Informatics
ISSN 2770-372X (Online)
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