Temperature Properties of Dielectric Permittivity and Optical Properties of a Multilayer Structure of Variozone Barium–Strontium Titanate

Physics of the Solid State - Optical properties and the temperature dependence of the permittivity of a multilayer structure of a variozone ferroelectric barium-strontium titanate deposited on a...     

Function of the Non-Crystalline X-Ray Amorphous Phase of Highly Dispersed Powder of CaO in Adsorption of CO2 and H2O

Russian Journal of General Chemistry - Highly dispersed CaO has been synthesized by heating an aqueous solution of calcium nitrate and D-glucose up to 800°C. Calcium oxide is formed with an...     

Synthesis of catalyst based on sol microspheres coated with pyrolytic tungsten and study of its influence on production of metallic germanium

Pyrolytic tungsten coatings were deposited onto the surface of sol microspheres with tungsten hexacarbonyl used as precursor. A method was developed for reduction of germanium tetrachloride in the presence of a catalyst based on sol microspheres coated with pyrolytic tungsten. The method makes it possible to reduce the process temperature and diminish the number of stages in production of germanium. The kinetic characteristics of the catalytic reduction of germanium tetrachloride with hydrogen were determined.     

Self-assembling catalytic systems based on new amphiphile containing purine fragment,exhibiting substrate specificity in hydrolysis of phosphorus acids esters

Micellar catalytic systems based on new purine-containing amphiphile for hydrolytic decomposition of organophosphorus toxicants have been prepared. The aggregation threshold of the system has been estimated by means of tensiometry, conductometry, spectrophotometry, and dynamic light scattering. The solubilizing action of the amphiphile towards the hydrophobic dye has been demonstrated. Kinetic studies of hydrolysis of phosphonates differing in the hydrophobicity have disclosed the substrate specificity of the micellar catalysts; inhibition instead of catalysis has been observed in the case of the less hydrophobic substrate.     

Quantum-chemical study of lutetium and ytterbium bis- and tetrakis(phthalocyaninates)

DFT calculations with B3LYP and PBE0 functionals have been carried out to determine the structural parameters, vibrational frequencies, and quadrupole moments of double-decker heavy lanthanide phthalocyaninates Pc₂Lu, (Pc₂Lu)⁺, (Pc₂Lu)^–, Pc₂Yb, (Pc₂Yb)⁺, and (Pc₂Yb)^–. Free valence of the Pc moiety [0.5 in Pc₂Lu and Pc₂Yb; 1.0 in (Pc₂Lu)⁺ and (Pc₂Yb)⁺] is delocalized in small fractions over the carbon atoms. The Pc₂Lu и Pc₂Yb molecules have a high electron affinity (3.2 eV) and a low ionization potential (6.1–6.3 eV). Calculations predict formation of quadruple-decker supercomplex Yb(Pc₂Lu)₂ from two Pc₂Lu molecules and an Yb atom via an exothermic process. The equilibrium structure of the molecules and ions can be characterized by D_4d point symmetry group.     

Inhomogeneity of Structural and Dynamical Characteristics of Dusty Plasma in a Gas Discharge

Journal of Experimental and Theoretical Physics - Dusty plasma crystals are commonly considered as spatially homogeneous structures with equal values of their structural and thermodynamic...     

Temperature Dependence of the Effective Magnetic Anisotropy Field and Ferromagnetic Resonance Linewidth in Polycrystalline Complex Substituted Magnetically Uniaxial Hexagonal Ferrites in the Frequency Range of 25–67 GHz

Technical Physics - Temperature dependences of the effective magnetic anisotropy field and ferromagnetic resonance linewidth in samples of isotropic and anisotropic hexaferrite...     

Thermodynamic Functions in the Binary System of a C60 Fullerene Derivative with Methionine Amino Acid–Н2О

Russian Journal of Physical Chemistry A - The temperature of the onset of ice crystallization (∆Т) is determined for binary aqueous solutions of a water-soluble tris-adduct of light...     

The 1H and 13C NMR chemical shifts of Strychnos alkaloids revisited at the DFT level

The density functional theory calculation of ¹H and ¹³C NMR chemical shifts in a series of ten 10 classically known Strychnos alkaloids with a strychnine skeleton was performed at the PBE0/pcSseg-2//pcseg-2 level. It was found that calculated ¹H and ¹³C NMR chemical shifts provided a markedly good correlation with experiment characterized by a mean absolute error of 0.08 ppm in the range of 7 ppm for protons and 1.67 ppm in the range of 150 ppm for carbons, so that a mean absolute percentage error was as small as ~1% in both cases.