A Density Functional Theory Study toward Ring-Opening Reaction Mechanisms of 2,4,6-Trinitrotoluene’s Meisenheimer Complex for the Biodegradation of Old Yellow Enzyme Flavoprotein Reductase

• Yang Zhou,
• Zhilin Yang,
• Tong Wei,
• Lingzhi Gu,
• Yongbing Zhu

Affiliations

Yang Zhou

State Key Laboratory of NBC Protection for Civilian, Beijing, China

Zhilin Yang

Automation Research Institute of China South Industries Group Corporation, Mianyang, China

Tong Wei

Institute of Chemical Materials, China Academy of Engineering and Physics, Mianyang, China

Lingzhi Gu

Institute of Chemical Materials, China Academy of Engineering and Physics, Mianyang, China

Yongbing Zhu

State Key Laboratory of NBC Protection for Civilian, Beijing, China