A theoretical study of the ozonolysis of C60: primary ozonide formation, dissociation, and multiple ozone additions

We present an investigation of the reaction of ozone with C60 fullerene using electronic structure methods. Motivated by recent experiments of ozone exposure to a C60 film, we have characterized stationary points in the potential energy surface for the reactions of O3 with C60 that include both the...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2014-04, Vol.16 (13), p.5977-5986
Hauptverfasser:	Chapleski, Jr, Robert C, Morris, John R, Troya, Diego
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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