Stability of O3 + N2, O3 + O2 and O3 + CO2 double hydrates: DFT study

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On complementability of certain generalized hypercenters in Artinian modules

We prove that, in an Artinian module, the upper FC-hypercenter over an infinite FC-hypercentral locally solvable group has a direct complement. Thus, we obtain a generalization of one of Zaitsev’s theorems and one of Duan’s theorems.     

VI. Synthesis of Heterocyclic Analogs of γ-Aminobutyric Acid from 3,5-Dinitrobenzoic Acid

A series of 7-carboxy-3-R-1,5-dinitro-3-azabicyclo[3.3.1]non-6-enes was synthesized by reduction of 3,5-dinitrobenzoic acid with sodium borohydride followed by Mannich reaction with formaldehyde and primary amines. The mechanism of decomposition under electron impact of the 3-azabicyclo[3.3.1]nonane was established. Enthalpies of formation of compounds synthesized were calculated by semiempirical PM3 method.     

Quantum-chemical Analysis of Reactions between Alkenes and Sulfenyl Chlorides. Position of Episulfuran and Tight Ion Pair on the Reaction Coordinate

In the first stage the reaction between 3,3-dimethyl-1-butene and 1-phenyl-5-tetrazolylsulfenyl chloride gives rise to intermediate of tight ion pair type that, in the course of system movement along the reaction coordinate, transforms into an intermediate species of sulfuran type or directly into an adduct. The intermediate of sulfuran type also transforms into an adduct going over the energy barrier of 40 kcal mol^-1. The formation of an episulfuran type intermediate directly from the reagents requires overcoming an energy barrier that is by 10 kcal mol^-1 higher than in going through a tight ion pair.     

Spatial self-organization of comb macromolecules

The properties and the self-assembly of single comb macromolecules in solution were studied. The elastic properties of a polymer chain with a high density of side chains forming a cylindrical brush were discussed, in particular, its persistence length was calculated. The cases of brushes with flexible and rigid side chains, as well as brushes with two types of incompatible side segments, were considered. It was shown that brushes with rodlike dangling chains have a higher rigidity. In addition, a comb macromolecule with the hydrophobic main chain and hydrophilic side chains was considered. Such a macromolecules in a selective solvent forms a globule with the hydrophobic core and a soluble shell. The specific feature of the globule is its ability to acquire nonspherical spatial forms. Problems related to the stability and transformation of globule shape are discussed in detail.     

Chlorination features of 1,5-dinitro-3-azabicyclo[3.3.1]non-6-enes

The electrophilic chlorine addition to 3-substituted 1,5-dinitro-3-azabicyclo[3.3.1]-non-6-enes in the tetrachloromethane is accompanied at an intramolecular 3,7-cyclization giving 6-chloro-3-R-1,5-dinitro-3-azoniatricyclo[3.3.1.03,7]nonane chlorides. The reaction of the tricyclic quaternary ammonium salts with sodium methoxide leads to the formation of dealkylated and dehydrohalogenated products, 3-substituted 8-chloro-1,5-dinitro-3-azabicyclo[3.3.1]non-6-enes, bicyclic products with a halogen atom in an allyl position with respect to the double bond.     

Principles of alignment of multibeam lasers for thermonuclear purposes

The concrete object of the investigation is the alignment of the high-power 12-channel Del'fin neodymium-glass laser facility. The objects of the alignment are the optical channel of the laser installation, the system for pointing and focusing the laser radiation on the target, the system for positioning the target in the focal volume, and the system for monitoring the optical quality of the elements of the laser installation and laser beams and also the conditions of the target irradiation in the vacuum chamber. The list of requirements that must be satisfied by the alignment beams, the possible sources of alignment beams, the makeup of the apparatus, and the methods of aligning the laser facility are considered. The principles and the actual systems of automatic alignment of the optical elements are described, as are the operating models of the automatized units. The problem of simulating the working laser beams by the alignment beams and the possibility of automatizing the control of the spatial and angular characteristics of the laser radiation are discussed. The system for controlling the alignment processes by means of a laser is considered, as is also a scheme for incorporating the automatized alignment subsystem in the overall system for the automation of the Del'fln facility.Translated from Trudy Ordena Lenina Fizicheskogo Instituta im. P. N. Lebedeva, Vol. 103, pp. 52–83, 1978.     

Relationship between the Dynamic Properties of 1h Ice and Xenon Hydrate and the Interplay of Intramolecular and Intermolecular Vibrations

A new approach was used to simulate vibration spectra of 1h ice and xenon hydrate in the range 0–4000 cm^-1, which encompasses both intramolecular and intermolecular vibrations. This approach, based on the lattice dynamics method, enables full spectra to be obtained for molecular crystals with allowance for the coupling of intramolecular and lattice vibrations. It is shown that consideration of this coupling leads to splitting of the peaks of intramolecular vibrations and to a significant change in the spectrum in the range of translation and libration molecular vibrations, which agrees qualitatively with experimental results.