Mendeleev Chemistry Journal
(Zhurnal Ross.Khim.Ob-va im.D.I.Mendeleeva)
1994, vol.38, No.6

Nemukhin A.V., Weinhold F.
Lewis Concept In Modern Quantum Chemistry.
The results of computational quantum chemistry may be rationalized in terms of the Lewis structure concept if the transformation from canonical molecular orbitals to natu ral bond orbitals is introduced. Applications of this formalism to various problems including structure of ionic and hyper valent compounds and treatment of electron correlation are discussed.

Vishnetskaya M. V., Romanovsky B.V.
Mechanisms of Hydrocarbon Catalytic Conversions: a new Approach.
Radical cations as reactive intermediates are suggested to play a key role in such processes as cracking and alkylation of hydrocarbons as well as of ethano! conversion whiich occur upon common acidic catalysts. In the frame of this model, the mechanisms of hydrocarbon isomerisation, cracking and alkylation are discussed. Molekular oxygen af- fects substantially the radical-catton pathways of hydro carbon conversions over silica-aluminas. In protic media, it may present as the strongly bound singlet species and presumably mediate the formation of radical cations. Depending on both the nature of parent molecules and acid-base properties of reaction media, radical-cation species makes it possible to initiate a radical or ion pathway. The protic centers of an acid catalyst are supposed to govern the ratio between these competing channels of the process.

Summ B.D.
The Structre of Liquid Surface (Net Hypothesis).
The hypothesis of heterogeneous costruction of surface layer of pure liquids has been put forward.
We suppose that near the surface a certain amount of colloid particles is being formed, those accordingly form a netlike gel structure. This net can provide the mechanical features of the liquid surface. The net model presents the synthesis of well known (classical) models of surface layer, thus it is acceptable for a wide range of surface phenomena (including the dynamical problems).
The Model points to the co-relation of surface tension with heat and entropy of melttng. This conclusion is also well in accordance with experimental data for liquefied inert gases of alkali metals.
The net model gives the new possibilities for description of dissipative structures on the liquid surface, that is of importance for certain biological processes.

Dikhne A. M., Petrii O.A., Tsirlina G.A.
Nanoelectrochemistry and Nanotechnology.
The history of the development of a new scientific direction -- nanoelectrochemisiry and also its most important aspects are discussed. Attention is focused on the atomic- resolution studies of electrochemical interfaces, which became possible due to the development of the in silu scanning tunneling microscopy (STM) method and its analogs. It is shown that the electrochemical version of STM offers additional possibilities for fundamental physical studies of tunneling processes. Moreover, the information is summa- rized on nanocompositions with special properties prepared by electrochemical methods. Potentialities for the development of local electroehemical nanotechnologies are analyzed.

Melikhov I.V.
Cristallosensorcs - novel method of investigation of sub- sfances state.
Crystallization of specially selected substances (crystalli- zants) have been analyzed for the revealing of supersatura- tion, temperature, structure and velocity of the medium where cristallization takes place. The ways for determination of interaction potential between atoms in solids of crystal surface energy, of surface complexes formation rates of atoms mobility in surface zone of crystals and of structure of near surface liquid layer on the boundary with solid body have been described. The phenomena of "morphological memory" and "ultra-molecular crystalliza- tion" of crystalizants and their application in technology have been considered. The previously unknown phenomenon of growth random walk of crystals in supersaturated vapour have been described.

Trushkov I.V.
Multl-dimensional Reaction Diagrams As a method for Analysis and Prediction of Organic Reactivity.
The different methods for descripion and prediction of reactivity are analyzed briefly. It is concluded, that all methods may be divided into two groups: I) the sample and visual approaches with small reliability and precision; 2) complicated precise but non-visual calculations.It is proposed a new method for analysis and prediction of reactivity-- multi-dimensional reaction coordinate diagrams. This method may be seen as a bridge between above two groups of approaches. In this method every reaction is analyzed as a number of co-processes of bond making/ breaking and appropriate electron density redistribution. Uning the simple quantitative equations allows to decribe the mechanisms and kinetics of different organic reactions with good both visuality and precision.

Babaev E.V.
The Alternation Rule: An Old Heuristic Principle or the New Conservation Law?
Early concepts and models of polarity alternation along the chains with polar groups are critically reviewed.The proposed new model describes alternation along the chains as the result of specific mutual disposition of Lewis' basic and acidic centres. ldentical results can be obtained from both the models of polar dichromatic multigraphs and the model of "ions in molecule". This gives rise to separate the specific class of molecules and ions (called "super consonant"), whose polar dichromatic structure strictly determines possibility of their presentation as ion assemblage. The author's quantum chemical AM1 calculations proved charge alternation even at the structures of non-polar super consonant molecules and/or their ions. The hypothesis of "alternation conservation" in ionic processes is claimed, that permits one to consider the consonant set of molecules to be closed (for the p-elemenls of 2-row) in relation to polar reactions. Wide applications of this hypothesis and rare counterexamples are discussed. Simple genetically interrelationship among the structures of the super consonant series is proposed as the model of computer generation of non-trivial synthetic equivalence types.

Babin V.N, Domaradskii I.V., Dubinin A.V, Kondrakova O.A.
Blochemical and molecular Aspects of Man -- Microflora Symbiosis.
Molecular and biochemical aspects of interactions between mammalian organisms (including man) and their microflora are examined in this paper.
The role of microflora in physiology of the host organism, in particular, the ability to protect the host from different infectional agents is discussed.
Analysis of our own and literature data allows to suggest a number of hypotheses conserning nature and intimate mechanisms of interaction in microflora -- host system. The authors develope their own idea about existence of the balance relations between the components of the host -- microflora system in physiological condittons on different levels.

Erokhin A.S.
Chemical evolution as a result of the self-development of opened photocatalytic systems.
It has been considered the script of the chemical evolution, in which the basic photocatalytic process through reaction of one of his product (hydrated electron) with medium generates a lot of organic compounds, which can modify photocatalyst. The new model of the developing phase separated system (sulphide vesicle) has been proposed. The role of abiotic reduction Krebs cycle in pre biological evolution has been demonstrated. The evolution of matter from processes occurring on stars to initiation of pre biotic metaboiism has been considered with point of view of the theory of generalized catalysis proposed by the author.

Spiridonov V.P.
A Ouantum Field Theory of Electronic-Nuclear Systems.
A survey is given of a quantum field theory of electronic-nuclear systems developed recently which proceeded from a continuous distribution of negative electric charge. This charge was considered as a source of the internal electromagnetic field suitable coupling between electronic and electromagnetic fields being ensured. Also, the electronic distribution was adequately described by a set of quasielectrons introduced to retain unity between continuous and discontinuous properties of matter.
First, a non-relativistic scalar field theory was formulated and a set of quantized non-linear integral-differential field equations was obtained which exhibited close similarity to those of Hartree.
In pursuit of a method to adequately account for spin and magnetic effects the spinor Pauli-like classical field equation was derived, the vector potential and magnetic field entering this equation being associated with the magnetic component of the internal electromagnetic field generated by the electronic system. A set of quantized field equations was further obtained provided two groups of quasi-electrons were iniroduced: the one consisting of quasi-electrons having a spin orientation associated with the psi(1)-component of a spinor; the other one consisting of remaining quasi-electrons having an opposite spin orientation and associated with the psi(2)-component of a spinor.
In a similar formulation of a relativistic version of a theory the Klein -- Gordon one-particle equation was taken and adapted to describe spin-I/2 having particles. First, this equation was re-formulated to take the Hamiltonian form and thin a set of quantized relativistic field equations correct through terms of order l/c(2) and involving an additional massvelocity term was obtained in a way quite similar to that of the above non-relativistic spinor version of a theory.
In conclusion, some probiems of interpretation of quantum mechanics are briefly discussed.

Zvirblis V.E.
Desigh of the Space of Space Life.
The space where the "arrow of time" exists as a physical reality and where life and consciousness may originate is a continuous, uniform, and isotropic material (yet directly unobservable) medium, a structure lacking mirror symmetry, the field of space-time torsion. Each point of the medium has symmetry of pseudoscalar and dimensionality of the density of energy flow generated by the forceless field of the vector potential structured as a continuous infinite-order spiral (three-dimensional fractal). Consideration is given to experimental situations where the physical vacuum manifests itself indirectly in macroscopic nonlocal effects of transfer of energy and information by transferring the angular momentum, which in physical, chemical, and biological systems produces changes in the height of the potential barrier and macrofluctuations featuring the spectrum of flicker noise.

Voroncova E.R.
Partition of atomic and molecular masses (PAMM).
Atomic and molecular weights (masses) as independent constants characterizing organic and inorganic substances are recommended as major key in reference books and information retrieval system.