Research Article
Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study
Figure 2
Optimized geometries of (a) ligand L1, (b) [Ni(L1)Cl2], (c) [Pd(L1)Cl2], (d) [Pt(L1)Cl2], (e) [Cu(L1)Cl2], and (f) [Zn(L1)Cl2] at B3LYP/6-31++G(d,p)/(SDD for metal ions) level of theory.
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