Связанные научные тематики:

 Найдено научных статей и публикаций: 1, для научной тематики: MO LCAO MNDO approach


Quantum chemical simulation of cytochrome P450 catalyzed aromatic oxidation: Metabolism, toxicity, and biodegradation of benzene derivatives (публикация автора на scipeople)   

D'yachkov P.N., Kharchevnikova N.V., Dmitriev A.V., Kuznetsov A.V., Poroikov V.V. - International Journal of Quantum Chemistry , 2007
The dependences of biological oxidation and toxicity of the mono- and multisubstituted benzene derivatives on the nature of substituents are studied using an oxenoid model and the quantum chemical calculations. According to this model, the P450 enzyme breaks the dioxygen molecules and generates the...