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Mechanism of destruction of benzoyl peroxide on surface of sp2-type carbon nanomaterials

Mykola Kartel; Liudmyla Karachevtseva; Wang Bo; Daryna Haliarnyk; Olga Bakalinska; Tetyana Kulyk; Borys Palyanytsya; Yevgen Demianenko; Anatoliy Grebenyuk; Volodymyr Kuts

Volume 9, Issue 6 , June 2018, , Pages 450-455

https://doi.org/10.5185/amlett.2018.1965

Abstract
  The possible mechanisms of decomposition of benzoyl peroxide were investigated by the method of density functional theory with the exchange-correlation functionality of B3LYP, a basis set of 6-31G (d, p). It was carried out a comparative analysis of the quantum chemical calculations of the electronic ...  Read More

Mechanism of destruction of benzoyl peroxide on surface of sp2-type carbon nanomaterials