Abstract
The quantum chemical investigations of the Disperse Orange 3 (D03) molecule isomerization through linear transition state has been assumed and investigated when -N=N- bond broken in the first excited state was not obtained. The one- and many electron energy diagrams have been drawn. It is shown that crossing between active one electron-state takes place. The many-electron diagram indicates that crossing between the closed shell state and the lowest open shell state is present.
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