Conference publications

The functional role of the symmetry in the D-metals coordination combinations

Vasil’eva L. Yu., Lapina G. P., Vasil’eva E. Yu.

Tver, Moscow

"Математика. Компьютер. Образование". Cб. трудов X международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2003. Vol. 3. Pp. 171-176.

It is discussed the functional models of the iron and manganese containing enzymes. The models are constructed on the bases of the crystalline field theory and the ligand field theory. The application of the symmetry theory makes possible to simplify the solution of Schrödinger equation for such systems. To construct the complexes MO and to represent the electron distribution on them. The symmetry theory makes also possible to expose the common regularities of the functional mechanism.

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