Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study

<div>Schematic representation of the push-pull mechanisms of the thione and thiol tautomers of MAPTSC, where<b> A</b> is the electron-acceptor group and<b> D</b> is the electron-donor group.</div>

Journal of Theoretical Chemistry

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Figure 1

Figure 1: Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study 

Figure 1 | Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study 