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Polybrominated Diphenyl Ethers –Design and Validation of Models for Photodegradation
 Veselý, Martin ; Žabová, Hana ; Kaštánek, František ; Ponec, Robert ; Jiřičný, Vladimír
Presented study predict ways of PBDE degradation using different methods – photodegradation, degradation with zero-valent metal and electrochemical degradation. Thermodynamic properties of all congeners were evaluated for predicting the degradation behavior. These properties were in this study by quantum-chemical calculations, using a semi empirical method AM1. The PBDE properties from the quantum-chemical calculation were also used to predict the wavelength of maximum absorbance, the octanol-water distribution coefficient and the gas chromatography retention times of all PBDE congeners.
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