On reasons for the hysteresis of melting and crystallization of nanoparticles

The specific features of the EPR spectra of Tm³⁺ impurity ions in synthetic forsterite have been studied by continuous-wave EPR spectroscopy in the frequency range of 270–310 GHz at a temperature of 4.2 K in weak magnetic fields. Narrow resonance signals unrelated to the modulation of the resonance conditions of EPR under the modulation of the external magnetic field have been discovered in measurements at frequencies corresponding to the zero field splitting between the ground and first excited singlet electron states of Tm³⁺ ions in zero magnetic field. The origin of these narrow lines is discussed.     

Numerical study of formation of solitary strain waves in a nonlinear elastic layered composite material

Propagation of nonlinear strain waves through a layered composite material is considered. The governing macroscopic wave equation for the long-wave case was obtained earlier by the higher-order asymptotic homogenization method (Andrianov et al., 2013). Non-stationary dynamic processes are investigated by a pseudo-spectral numerical procedure. The time integration is performed by the Runge–Kutta method; the approximation with respect to the spatial co-ordinate is provided by the Fourier series expansion. The convergence of the Fourier series is substantially improved and the Gibbs–Wilbraham phenomenon is reduced with the help of Padé approximants. As result, we explore how fast and under what conditions the solitary strain waves can be generated from an initial excitation. The numerical and analytical solutions (when the latter can be obtained) are in good agreement.     

Uranyl compounds and complexes: Electronic structure,chemical bonding and spectral properties

The electronic structure of solid compounds -UO₃, Cs₂UO₂CL₄, UO₂F₄ and complexes UO ₂ ²⁺ and UO₂(NO₃)₂ · 2H₂O has been studied by the cluster discrete variational DV X method in Dirac-Slater and Hartree-Fock-Slater approximation. The analysis of relativistic effects in the electronic structure of uranyl compounds was based on the comparison of non-relativistic and relativistic DV results. The interpretation of X-ray photoelectron spectra of -UO₃ and Cs₂UO₂Cl₄ basing on the MO model is given. The various electronic states contributions to the chemical bonding in uranyl compounds are investigated.     

Bending of point correspondences. ω-systems

Apart from the literature we investigate special systems of quadratic forms (-systems) that have significance in the theory of bending of point correspondences.Translated from Itogi Nauki i Tekhniki, Seriya Problemy Geometrii, Vol. 16, pp. 3–34, 1984.     

Catalysis of Cascade and Multicomponent Reactions of Carbonyl Compounds and CH Acids by Electricity

This review is concerned with modern trends in the use of electrochemically induced chain reactions in cascade and multicomponent electroorganic synthesis. The review summarizes the data on the use of electrochemically induced chain reactions in cascade and multicomponent organic synthesis, which were published mainly in the last decade.     

Geometry,electronic structure and energy barriers of all possible isomers of Fe<Subscript>2</Subscript>C<Subscript>3</Subscript> nanoparticle

The search for stable structures of neutral Fe₂C₃ particle was based on the geometry optimization of the known FeC₃ and Fe₂C₂ isomers with the Fe and C atoms approaching from various directions. The geometry optimization of more than 2,000 initial structures was carried out using the DFT based DMol³ method and converged to 41 stable configurations. The structures containing C₃ triangle and the cyclic planar isomer with transannular bonds are found to have the lowest binding energies. The effective charges and total spin densities on the atoms were calculated using integral scheme incorporated in DVM and Hirshfeld procedure of DMol³. The relations between geometrical structures and spin moments ordering are discussed. For the evaluation of potential barriers the geometry optimization of all Fe₂C₃ configurations was performed with a thermal occupation, corresponding to the various values of the excitation energy.     

Fast Efficient and General PASE Approach to Medicinally Relevant 4H,5H‐Pyrano‐[4,3‐b]pyran‐5‐one and 4,6‐Dihydro‐5H‐pyrano‐[3,2‐c]pyridine‐5‐one Scaffolds

The general ‘on‐solvent’ PASE approach was found to be medicinally relevant for 4H,5H‐pyrano[4,3‐b]pyran‐5‐one and 4,6‐dihydro‐5H‐pyrano[3,2‐c]pyridine‐5‐one scaffolds. Ammonium acetate‐catalyzed multicomponent reaction of aldehydes and two different C–H acids in the presence of small amounts of EtOH results in fast (3 – 15 min) and efficient formation of scaffolds, promising for many diverse oriented medical applications.