Table of contents

The basic problems of computer simulation of mass and charge transfer in electrochemical processes such as electrocrystallisation and corrosion of metals are analysed. Three main approaches to the simulation of electrochemical problems are considered: the Ising (lattice gas) model, molecular dynamics (MD) and Monte Carlo (MC) methods. The principal equations used in simulation techniques and examples of the simulation of particular systems are presented. The bibliography includes 136 references.

Basic advances and prospects of further research in the field of the chemistry of nanoparticles are considered. The principal factors determining the unusual physicochemical properties of semiconductor nanoparticles are discussed. It is pointed out that the kinetics of chemical transformations on the surface and in the bulk of nanoparticles differs from that in infinite space. The classical equations of chemical kinetics can be used for the description of the processes on the surface of nanoparticles down to a size that exceeds the size of the reacting molecules by an order of magnitude. The large relative fraction of surface atoms in nanoparticles determines the size dependences of the melting temperature and pressure at which the crystal lattice of a semiconductor rearranges (i.e., a phase transition occurs in the semiconductor crystal). Because of the comparable size of nanoparticles and the delocalisation radii of charge carriers non-linear optical effects arise and the redox properties and optical characteristics of nanoparticles become dependent on their size. The bibliography includes 219 references.

Reactions of proton phototransfer in organic compounds and photochemical lasers based on these reactions are considered. A principle of operation of a photochemical laser is described. Selection criteria of acid-base systems to serve as active media in photochemical lasers are determined. A list of acid-base laser systems, conditions of their fabrication, and emission characteristics are collated. Specific losses in photochemical lasers are analysed. Methods of expanding the spectral range of tunable emission in the photochemical lasers are described. The bibliography includes 134 references.

The crystal structures of inorganic compounds comprising cationic complexes containing oxygen atoms coordinated tetrahedrally to metal atoms, or oxocentred groups [OM₄], are considered. The linking of the [OM₄] tetrahedra in the structures has been analysed and cationic complexes of different structures have been identified. The rules governing the linking of the [OM₄] tetrahedra have been formulated and the cationic complexes have been subjected to a detailed systematic treatment on their basis. Data on the statistics of the bond lengths and bond angles in the [OM₄] tetrahedra are presented. The bibliography includes 317 references.

The problems in the use of rhenium compounds and supported mono-, bi-, and poly-metallic rhenium-containing catalysts for carrying out reactions involving the metathesis of alkenes and unsaturated functional compounds, the hydrogenation and dehydrogenation of hydrocarbons, the conversion of hydrocarbons and their industrial mixtures, and the hydrogenation of fractions comprising carboxylic acids and the products of the hydroformylation of synthetic aliphatic acid esters are examined. The characteristic features of the behaviour of platinum–rhenium/alumina catalysts under reforming conditions are described. The specificity of the action of rhenium heptasulfide in the hydrogenation reactions of condensed N-containing aromatic compounds and in the reductive C-alkylation of indoloisoquinoline by alcohols is noted. The bibliography includes 251 references.