Abstract
The semiempirical molecular orbital method known as symmetrically orthogonalised intermediate neglect of differential overlap (sindo) has been employed to determine the geometry, bonding, binding energy, ionisation potential, dipole moment and net charges of diketene and cyclobutane-1,3-dione molecules. Results obtained have been compared with available experimental data.
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Dwivedi, C.P.D. Semiempirical molecular orbital calculations for ketene dimers. Pramana - J Phys 25, 547–555 (1985). https://doi.org/10.1007/BF02847232
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DOI: https://doi.org/10.1007/BF02847232