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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.
Rui Feng Zi-Ying Li Zhao-Quan Yao Zi-Ang Guo Yi-Nan Zhang Hao-Xiang Sun Wei Li Xian-He Bu 《中国科学:化学(英文版)》2022,65(1):128-134
The rational designability and chemical tunability of metal-organic frameworks(MOFs)are enabling tributes to efficaciously enhance their room temperature phosphorescence(RTP)performance.A family of stable anionic MOFs,[Zn2(4,5-ImDC)2]M2(NKU-132,M=(CH3)2NH2or(CH2CH3)2NH2),featuring significant RTP have been synthesized.By rational cation selection and in-situ replacement from dimethylammonium to diethylammonium,the phosphorescence lifetime is increased from 30.88 to126.3 ms,along with less sensitivity to air.This work provides an anti-quenching and lifetime tuning example for RTP-MOFmaterials via facile host-guest chemistry. 相似文献
7.
In this paper,we consider the deformed Hermitian-Yang-Mills equation on closed almost Hermitian manifolds.In the case of the hypercritical phase,we derive a priori estimates under the existence of an admissible C-subsolution.As an application,we prove the existence of solutions for the deformed Hermitian-Yang-Mills equation under the condition of existence of a supersolution. 相似文献
8.
Journal of Applied Spectroscopy - The concentration of heavy metals in drinking water is an important standard for water quality evaluation and water pipeline corrosion detection. This research... 相似文献
9.
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
10.