Vibrational Zero-Point Energies of Iodo Compounds

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N. Saeed


   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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SAEED, N.. Vibrational Zero-Point Energies of Iodo Compounds. Ibn AL- Haitham Journal For Pure and Applied Science, [S.l.], v. 24, n. 2, may 2017. ISSN 2521-3407. Available at: <>. Date accessed: 02 june 2020.