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Reactions involving large organic molecules (semicarbazones and spiro-heterocycles) are being studied experimentally. Majority of these reactions is yet to be studied theoretically with aim of providing some detailed information not obtainable through experimental studies. In this work, semi-empirical approach was employed to deepen the knowledge about semicarbazones and spiro-heterocycles formation reaction conditions. Thermodynamic and kinetic data obtained the theoretical approach for these reactions have further enriched the literature on these significant bioactive molecules.

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