[en] Effect of strong electric fields on spatial and electronic structure of hydrate complexes of Li⁺, Na⁺, Be²⁺ and Mg²⁺ ions with one water molecule has been studied. It is shown that when determining orientation of ion-molecular complex as to field direction, the ion-molecule binding energy can increase by a factor of several times. The calculations are made in the approximation CNDO/2 and external electric field has been taken into account in clear form by the introduction of corresponding members of interaction of nuclei and valent electrons with the field into Hamiltonian

[en] New parameters for the calculation of clusters with participation of atoms of the first transition series of metals from Ti to Cu are suggested. Binding energy of H₂ molecule and M₉O₉ clusters was calculated and it is shown that oxides of Ti, V and Cr form a bond with H₂ molecule mainly at the expence of interaction with 3d-orbitals

[en] By the Hartree-Fock Roothaan method in CNDO/2 approximation equilibrium distances, binding energies and electronic density distribution for metalloporphyrin complexes Li⁺[PP]^2-, Na⁺[PP]^2-, Be²⁺[PP]^2- and Mg²⁺[PP]^2- with O₂, CO, OH^- and CN^- extraligands are calculated. It is shown that the interaction of oxygen molecule with metalloporphyrin containing Mg²⁺ ion, qualitatively differs from the interaction with other metalloporphyrins and extrligands. The calculations show that the binding energy ion-nitrogen alom of the porphyrin molecule which is equal for the ion 70 kJ/mol practically does not change in case of addition of extraligands

[en] An automated equipment is developed to resister and process experimental data obtained by the method of electric resistance widely used in studies on the kinetics of radiation damages to materials and easily realized under conditions of protective chambers and reactor research channels. The equipment is based on the alpha-numeric display and operates with the BEhSM-6 computer. The functional diagram of the device and its main specifications are presented

[en] Short note