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Figure 2
Equilibrium bond length for second-row homonuclear dimers from OF-DFT using various deformation potentials as a function of constructive interaction terms. Squares: no destructive terms, circles: two destructive terms, diamonds: four destructive terms, triangles: six destructive terms. Yellow: Ne2; orange: F2; red: O2; black: N2; dark green: C2; light green: B2; light blue: Be2; dark blue: Li2. Equilibrium bond lengths from deformation potentials in accordance with MO concept are highlighted by large symbols, hereby B2 RAB = 4.12 bohr (shown by light-green circle), C2 RAB = 3.02 bohr (shown by dark-green circle), N2 RAB = 2.38 bohr (shown by black circle), and O2 RAB = 2.77 bohr (shown by red diamond). The equilibrium bond length for N2 has recently been reported by Finzel (2021BB13).

ISSN: 2052-5206
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