, Volume 25, Issue 5, pp 547–555 | Cite as

Semiempirical molecular orbital calculations for ketene dimers

  • C P D Dwivedi
Atomic And Molecular Physics


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.


Ketene dimers equilibrium configuration semiempirical molecular orbitals 




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Copyright information

© Indian Academy of Sciences 1985

Authors and Affiliations

  • C P D Dwivedi
    • 1
  1. 1.Physics DepartmentGorakhpur UniversityGorakhpurIndia

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