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1.
Reutova O. V. Belokoneva E. L. Dimitrova O. V. Volkov A. S. 《Crystallography Reports》2022,67(7):1122-1126
Crystallography Reports - Fluoride crystals K2(Ta0.9I0.1)F7 (sp. gr. Р21/c) complementary to the K2TaF7 and K2NbF7 fluoride family have been obtained by hydrothermal synthesis. Their... 相似文献
2.
Fluid Dynamics - The problem of stability of a subsonic boundary layer is solved under the conditions of heat supply inside the boundary layer with injection of a homogeneous gas through a porous... 相似文献
3.
Nonlinear Dynamics - In this paper, an economic competition between two firms that want to maximize the weighted-average social welfare and own profits is proposed. This kind of competition is... 相似文献
4.
Osipov Yu. V. Voznesenskii A. S. 《Journal of Applied Mechanics and Technical Physics》2022,63(2):347-355
Journal of Applied Mechanics and Technical Physics - A method for determining the empirical dependence of the rheological properties of rocks on stresses has been developed and tested in... 相似文献
5.
Dr. Kifah S. M. Salih 《ChemistryOpen》2022,11(2):e202100237
A new series of azomethine-functionalized compounds was synthesized from the condensation of 2-hydroxy-1,3-propanediamine and 2-thienylcarboxaldehydes in the presence of a drying agent. The derivatives were spectroscopically characterized by NMR, LC-MS, UV/Vis, IR and elemental analysis. Variable temperature 1H-NMR (−60 to +60 °C) was performed to investigate the effect of solvent polarity; the capability of solvent to form H-bond was found to dramatically influencing the tautomerization process of the desired structures. The calculated thermochemical parameters (ΔH298, ΔG298 and ΔS298) at DFT and MP2 levels of theory explained that 3 b exists in equilibrium with two tautomers. The basis of the electronic absorptions was pursued through Time-Dependent Density-Functional Theory (TD-DFT). Analysis of the structural surfaces was inspected and the molecular electrostatic potential (MEP) demonstrated that the three functionalized compounds were relatively analogous in the electronic distributions. Furthermore, the electrophilic and nucleophilic centers lying on the molecular surfaces were probably playing a key-role in stabilizing the compounds through the nonclassical C−H⋅⋅⋅π interactions and hydrogen bonding. The impact of solvent polarity on absorption spectra were investigated via solvatochromic shifts. For instance, compound 3 c displayed a gradual shift of the maximum absorption to the red area when the solvent polarity was increased, recording a 21 nm of bathochromic shift. In contrast, no significant solvent-effect on 3 a and 3 b was observed. The solvation relation was pursued between Gutmann's donicity numbers the experimental λmax; exhibited almost positive linear performance with a minor oscillation, that ascribe to the possible weak interface between the molecules of solute and designated solvents. The bandgap energy of all products were assessed experimentally using optical absorption spectra following Tauc approach, giving −4.050 ( 3 a ), −3.900 ( 3 b ) and −3.210 ( 3 c ) eV. However, the ΔE were computationally figured out from TD-DFT simulation to be −4.258 ( 3 a ), −4.022 ( 3 b ) and −3.390 ( 3 c ) eV. 相似文献
6.
Physics of the Solid State - Using the X-ray diffraction and electron microscopy methods, the structure and the elemental and phase compositions of hypereutectic alloy Al86Ni2Co6Gd6 (hereinafter,... 相似文献
7.
Heßberger F. P. Antalic S. Giacoppo F. Andel B. Ackermann D. Block M. Heinz S. Khuyagbaatar J. Kojouharov I. Venhart M. 《The European Physical Journal A - Hadrons and Nuclei》2022,58(1):1-18
The European Physical Journal A - The goal of the present paper is twofold. First, a novel expansion many-body method applicable to superfluid open-shell nuclei, the so-called Bogoliubov in-medium... 相似文献
8.
Roopa K. P. Keshavamurthy K. Mahesh B. Veena K. P. Shankara B. S. Basavaiah K. 《Journal of Applied Spectroscopy》2022,89(4):809-818
Journal of Applied Spectroscopy - Three simple, sensitive, precise, and rapid spectrophotometric methods are developed and optimized for the assay of vardenafil in pharmaceutical formulations. The... 相似文献
9.
Temerdashev Z. A. Musorina T. N. Ovsepyan S. K. Korpakova I. G. 《Journal of Analytical Chemistry》2022,77(5):595-603
Journal of Analytical Chemistry - The work is dedicated to the determination of polyaromatic hydrocarbons (PAHs) in soils and bottom sediments by gas chromatography–mass spectrometry using... 相似文献
10.
Sørbye Sigrunn H. Nicolau Pedro G. Rue Håvard 《Statistical Inference for Stochastic Processes》2022,25(3):577-598
Statistical Inference for Stochastic Processes - The class of autoregressive (AR) processes is extensively used to model temporal dependence in observed time series. Such models are easily... 相似文献