Theoretical Investigation on the Degradation of Sulfadiazine in Water Environments: Oxidation of •OH, SO4•−and CO3•− and Reactivity of (tio2)n Clusters (n = 1–6)
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING（2023）
Key words
Sulfadiazine,Quantum chemistry methods,Degradation mechanism,Kinetics calculation,Toxicity assessment
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