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. 2025 Aug 26;15(37):30102–30122. doi: 10.1039/d5ra03168k

Table 5. Donor–acceptor interactions and their stabilization energies in NBO analysis for Ni-DAPH complex.

Donor Acceptor Distances (Å) E (2) kcal. mol−1
LPO14 LP*Ni 77 1.894 36.07
LPO33 LP*Ni 77 1.886 35.92
LPO52 LP*Ni 77 1.895 37.97
LPO71 LP*Ni 77 1.892 32.73
Total energy 142.69