supported by the National Natural Science Foundation of China(Nos.40976041 and 20775074)
The relationship between chemical structures and photodegradation activity of 12 PAHs is studied using DFT and HF methods, and stepwise multiple linear regression analysis method. The equilibrium geometries and vibrat...
supported by the National Natural Science Foundation of China (No. 40976041,20775074)
The relationship between chemical structures and biodegradation rates (k b) of 22 polycyclic aromatic hydrocarbons (PAHs) was studied using density functional theory (DFT) and stepwise multiple linear regression...
supported by the National Natural Science Foundation of China (Grant No.20775074)
The procedures of ultrasonic extraction and clean-up were optimized for the determination of polycyclic aromatic hydrocarbons (PAHs) in marine sediments. Samples were ultrasonically extracted, and the extracts were pu...
supported by the National Natural Science Foundation of China (Nos.40976041 and 20775074)
The photodegradation mechanism of fenvalerate in water has been investigated by density functional theory(DFT).The geometries of reactants,transition states,intermediates and products are optimized at the B3LYP/6-31...