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A new catalytic system using the combination RuCl2(DMSO)4/CH3CH2COONa/DMSO/carboxylic acid which enables selective dimerization of acrylonitrile to linear dimers without formation of propionitrile as a byproduct has been developed on the basis of a new working hypothesis of the desirable reaction mechanism involving protonolysis of a C−Ru bond in the intermediate.

In the second part of this paper on micro-canonical ensemble a new numerical approach for consideration of quantum dynamics and calculations of the average values of quantum operators and time correlation functions in the Wigner representation of quantum statistical mechanics has been developed. The time correlation functions have been presented in the form of the integral of the WeylÏs symbol of the considered operators and the Fourier transform of the product of matrix elements of the dynamic propagators. For the latter function the integral WignerÈ LiouvilleÏs type equation has been derived. The initial condition for this equation has been obtained in the form of the Fourier transform of the Wiener path integral representation of the matrix elements of the propagators at initial time. A numerical procedure for solving this equation combining both molecular dynamics and Monte Carlo methods has been developed.Numerical results have been obtained for series of average values of the quantum operators as well as for the time correlation function characterizing the energy level structure, the momentum Ñow of tunnelling particles at barrier crossing and the absorption spectra of electrons in a potential well. The developed quantum dynamics method was tested by comparison of numerical results with analytical estimations. Tunnelling transitions and the e †ect of the quasi stationary state have been considered as the reasons for the peculiarities in behaviour of the time correlation functions and position and momentum dispersions.The possibility of applying the developed approach to the theory of classical wave propagation in random media have also been considered. For classical waves some results have been obtained for Gaussian beam propagation in 2D and 3D waveguides.