Vibrational Zero-Point Energies of Iodo Compounds
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Abstract
In this study, the contribution of the bond C–I has been derived and incorporated in empirical formula to calculate zero-point energies (ZPE) of Iodo compounds. The calculated ZPE for 38 molecules containing this bond correlate well with experimental values. The comparison of these results with semiempirical (AM1) ZPE appears very satisfactory
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Vibrational Zero-Point Energies of Iodo Compounds. (2017). Ibn AL-Haitham Journal For Pure and Applied Sciences, 24(2). https://jih.uobaghdad.edu.iq/index.php/j/article/view/774
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Chemistry
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How to Cite
Vibrational Zero-Point Energies of Iodo Compounds. (2017). Ibn AL-Haitham Journal For Pure and Applied Sciences, 24(2). https://jih.uobaghdad.edu.iq/index.php/j/article/view/774