密度功能理论 研究甲蓝脱甲基化作为反应性氧物种介导的降解的关键步骤

Silvia González1, Ximena Jaramillo-Fierro1

  • 1Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Técnica Particular de Loja, París s/n y Praga, Loja 110107, Ecuador.

概括

密度函数理论揭示了反应性氧物种 (ROS) 通过脱甲基化有效降解甲基蓝 (MB). 这项计算研究澄清了ROS路径,帮助废水处理策略对持久有机污染物.

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