Abstract
An application of the semi-empirical CNDO/2 and INDO methods to calculate the molecular dipole moment of iodine compounds has been made with all-valence electron scheme. Equilibrium geometries are obtained using experimental bond lengths and the various semi-empirical parameters required inscf-mo scheme are obtained from atomic Hartree-Fock calculations and by comparison withab initio calculations. Bothsp andspd valence basis sets are used.
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Santhanam, V., Sobhanadri, J. CNDO/2 and INDO all-valence-electron calculations on the dipole moment of iodine compounds. Pramana - J Phys 24, 737–741 (1985). https://doi.org/10.1007/BF02846793
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DOI: https://doi.org/10.1007/BF02846793