Research Article
Computational Studies of 4-Formylpyridinethiosemicarbazone and Structural and Biological Studies of Its Ni(II) and Cu(II) Complexes
Table 1
Molecular properties of H4FPT.
| Property | Thione | Thiol-1 | Thiol-2 |
| Single point energy | -2021.88 | -2036.92 | -2028.04 | (K Cal/mole) | Heat of Formation | 109.54 | 94.51 | 103.38 | (K Cal/mole) | Dipole Moment | 7.41 | 4.24 | 3.68 | (Debye) |
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