Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-кO-N-(2-pyridyl)-1-naphthaldiminato-кN]zinc(II)

- The optimized molecular geometry and vibrations are calculated using ab initio method.
- Polarizability and first hyperpolarizability of the compound were calculated.
- Thermodynamic properties at different temperatures were obtained.
- The DFT calculations of the compound, MEP and FMO properties were also examined.