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Semiempirical molecular orbital calculations for four-, six- and eight-atom systems

Authors:	C P D Dwivedi

Institution:	(1) Physics Department, Gorakhpur University, 273 001 Gorakhpur, India

Abstract:	The geometry, bond order, binding energy, ionisation potential, dipole moment and net charges have been calculated for cis-N₂O₂, trans-N₂O₂, N₂O₄, BF₃, CH₃, NH₃, BH₃ and B₂H₆ systems using semiempirical molecular orbital methodsindo and the results compared with available experimental,ab initio andmindo/3 data.

Keywords:	sindo" target="_blank">sindo equilibrium configuration
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