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Study The Effect of Amino Radicals on the Electronic Properties of Cyclobutadiene Rings
Journal of Babylon University/Pure and Applied Sciences/ No
unpublished
The present work deals with the electronic structure of organic molecules in form ring, containing semiconductor atoms. Cyclobutadiene is the original ring before replacing the amino radicals. The present study includes six molecules. Density functional theory with B3LYP/3-21G** level has been used to find the electronic structure and physical properties of the studied molecules. It used to investigate the energy gap, total energy, ionization potential, electron affinity and electrophilicity.
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