Interpretation of vibrational IR spectrum of uracil using anharmonic calculation of frequencies and intensities in second-order perturbation theory

The anharmonic frequencies of fundamental vibrations, overtones, and combination vibrations, as well as the intensities of absorption bands in the IR spectrum of uracil, are calculated. The anharmonic quartic force field and the third-order dipole moment surface calculated by the DFT quantum-mechanical method (B3LYP/6-31+G(d,p)) are taken as the initial parameters. The anharmonic frequencies and intensities of vibrations are determined using the second-order perturbation theory in the form of contact transformations. Multiple Fermi resonances and polyads are determined by the diagonalization of a small interaction matrix of vibrations of different types (fundamental, combination, and overtone frequencies). The total experimental IR spectrum of matrix-isolated uracil is interpreted. It is shown that the used method of calculating anharmonic frequencies and intensities can form a basis for anharmonic calculations of vibrations of moderate molecules.     

Some constructions of linearly optimal group codes

We continue here the research on (quasi)group codes over (quasi)group rings. We give some constructions of [n,n-3,3]_q-codes over F_q for n=2q and n=3q. These codes are linearly optimal, i.e. have maximal dimension among linear codes having a given length and distance. Although codes with such parameters are known, our main results state that we can construct such codes as (left) group codes. In the paper we use a construction of Reed-Solomon codes as ideals of the group ring F_qG where G is an elementary abelian group of order q.     

Magnetoelectric Effect in a Two-Layer Ferromagnetic-Piezoelectric System

Russian Physics Journal - The theory of the direct magnetoelectric (ME) effect in a two-layer ferromagnetc-piezoelectric structure that differs from the existing theories by the exact accounting of...     

Two-Dimensional Excitons in Multiple GaN/AlN Monolayer Quantum Wells

JETP Letters - The decay kinetics of low-temperature exciton photoluminescence in a heterostructure with multiple GaN/AlN monolayer quantum wells, which is prepared by molecular beam epitaxy, is...     

Reduction of the hydrodynamic resistance to turbulent water flow with copolymers of acrylamide,acrylonitrile, and 2-acrylamido-2-methylpropanesulfonic acid

The influence of the ratio of acrylamide, acrylonitrile, and 2-acrylamido-2-methylpropanesulfonic acid monomeric units in the terpolymer on its molecular-mass characteristics was studied. The influence of the copolymer composition on its resistance to the action of CaCl₂ was determined. The capability of the synthesized terpolymers to reduce the hydrodynamic resistance to a liquid flow was evaluated with a laboratory capillary turbulent rheometer. The hydrodynamic resistance reduction effect depends on the molecular-mass characteristics of the terpolymers.     

Addition Polymerization of 5-Ethylidene-2-Norbornene in the Presence of Pd N-Heterocyclic Carbene Complexes

New high-performance catalytic systems based on Pd N-heterocyclic carbene complexes for the selective addition polymerization of 5-ethylidene-2-norbornene (ENB) were proposed. With these catalysts, polymerization can be conducted at unprecedentedly high monomer/catalyst ratio (up to 5 × 10⁵/1) and gives high-molecular-weight soluble polymers with good film-forming properties. Varying the polymerization conditions (reaction temperature, monomer and catalyst concentrations, monomer/Pd ratio) makes it possible to prepare soluble ENB-based addition polymers with specified molecular weights in reasonable yields.     

Can Sn(OCH2CH2NMe2)2 behave as a stannylene? Equatorial-axial isomerism in the tin(II)-iron(0) complex (Me2NCH2CH2O)2Sn-Fe(CO)4

Equatorial-axial isomerism of the tin(II)-iron(0) complex (Me2NCH2CH2O)2Sn-Fe(CO)4 (), which indicates that the free Sn(OCH2CH2NMe2)2 () ligand can behave as a stannylene, has been revealed and studied by NMR and IR spectroscopy in solution as well as by Raman spectroscopy and X-ray diffraction analysis in the solid-state.     

Anchoring of Polymers by Traps Randomly Placed on a Line

We study the dynamics of a Rouse polymer chain which diffuses in a three-dimensional space under the constraint that one of its ends, referred to as the slip-link, may move only along a one-dimensional line containing randomly placed, immobile, perfect traps. Extensions of this model occur naturally in many fields, ranging from the spreading of polymer liquids on chemically active substrates to the binding of biomolecules by ligands. For our model we succeed in computing exactly the time evolution of the probability P _sl(t) that the chain slip-link will not encounter any of the traps until time t and, consequently, that until this time the chain will remain mobile.     

Frequency Range of Compression for Discrimination of Acoustic Signals with Complex Spectra

Acoustical Physics - Psychophysical experiments on listeners with normal hearing were conducted to discriminate the rippled spectra of an acoustic signal against maskers with different positions of...