Molecular orbital studies on diazine mono and di N-oxides

  • G V Kulkarni
  • Arabinda Ray
  • C C Patel


Pariser-Parr-Pople, iterative extended Huckel, CNDO/2 and MINDO/2 methods have been applied to diazine mono and di N-oxides. Electronic transitions and chemical reactivity of these molecules are explained. Dipole moments, heats of formation and binding energy are calculated.


Diazine N-oxides iterative extended Huckel CNDO/2 MINDO/2 Pariser-Parr-Pople (PPP) 


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Copyright information

© Indian Academy of Sciences 1977

Authors and Affiliations

  • G V Kulkarni
    • 1
  • Arabinda Ray
    • 1
  • C C Patel
    • 1
  1. 1.Department of Inorganic and Physical ChemistryIndian Institute of ScienceBangalore

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