| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7672867 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 9 Pages |
Abstract
- 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.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
![Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-кO-N-(2-pyridyl)-1-naphthaldiminato-кN]zinc(II)](/preview/png/7672867.png "First Page Preview: Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-кO-N-(2-pyridyl)-1-naphthaldiminato-кN]zinc(II)")
Authors
Hasan Tanak, Mehmet Toy,