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排序方式: 共有811条查询结果,搜索用时 15 毫秒
1.
Attila Kovács 《International journal of quantum chemistry》2020,120(1):e26051
Lanthanide dinitrogen complexes, Ln(N2) x (x = 1-8), were investigated by Density Functional Theory computations using the B3LYP exchange-correlation functional in conjunction with quasirelativistic pseudopotentials for Ln. After a recent study on the lanthanum complexes (A. Kovács, Structural Chemistry 2018 , 29, 1825), the present study aimed to probe the changes upon variously filled 4f subshells of Ln on the structures, stabilities, and bonding properties in related complexes of Nd, Ho, and Lu. The bonding properties were assessed on the basis of natural atomic charges, Ln valence orbital populations, and analysis of bonding molecular orbitals. 相似文献
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Attila Dénes Yoshiaki Muroya Gergely Röst 《Mathematical Methods in the Applied Sciences》2020,43(17):9671-9680
We study the global stability of a multistrain SIS model with superinfection and patch structure. We establish an iterative procedure to obtain a sequence of threshold parameters. By a repeated application of a result by Takeuchi et al. [Nonlinear Anal Real World Appl. 2006;7:235–247], we show that these parameters completely determine the global dynamics of the system: for any number of patches and strains with different infectivities, any subset of the strains can stably coexist depending on the particular choice of the parameters. 相似文献
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András Gy. Németh Renáta Szabó Dr. Attila Domján Prof. György M. Keserű Dr. Péter Ábrányi-Balogh 《ChemistryOpen》2021,10(1):16-27
The development of a new three-component chromatography-free reaction of isocyanides, amines and elemental sulfur allowed us the straightforward synthesis of thioureas in water. Considering a large pool of organic and inorganic bases, we first optimized the preparation of aqueous polysulfide solution from elemental sulfur. Using polysulfide solution, we were able to omit the otherwise mandatory chromatography, and to isolate the crystalline products directly from the reaction mixture by a simple filtration, retaining the sulfur in the solution phase. A wide range of thioureas synthesized in this way confirmed the reasonable substrate and functional group tolerance of our protocol. 相似文献
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Predoana Luminita Atkinson Irina Karaj Dániel Attila Odhiambo Vincent Otieno Bakos László Péter Nagyné Kovács Teodóra Pandele-Cusu Jeanina Petrescu Simona Rusu Adriana Szilágyi Imre M. Pokol György Zaharescu Maria 《Journal of Thermal Analysis and Calorimetry》2021,143(4):2893-2900
Journal of Thermal Analysis and Calorimetry - In the literature data, several papers reported the synthesis by various chemical or physical methods of the SrCu2O2 (SCO) having possible applications... 相似文献
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We describe general methods for enumerating subsemigroups of finite semigroups and techniques to improve the algorithmic efficiency of the calculations. As a particular application we use our algorithms to enumerate all transformation semigroups up to degree 4. Classification of these semigroups up to conjugacy, isomorphism and anti-isomorphism, by size and rank, provides a solid base for further investigations of transformation semigroups. 相似文献
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Markus Kury Katharina Ehrmann György Attila Harakály Christian Gorsche Robert Liska 《Journal of polymer science. Part A, Polymer chemistry》2021,59(19):2154-2169
In the last decades the importance of UV curable formulations has increased continuously. Their fast curing speed, solvent-free polymerization conditions, and the formation of hard and highly crosslinked photopolymer networks represent major benefits. Commercial UV resins generally consist of multi-functional vinyl oligomers, photoinitiators, additives, and reactive diluents. Mono- and multi-functional reactive diluents serve as thinners to lower the overall resin viscosity and to improve processability. However, many monofunctional reactive diluents like isobornyl (meth)acrylate or benzyl (meth)acrylate exhibit high volatility, often already at room temperature. This causes adverse effects such as unpleasant odor, potential health risks, and changing resin composition during processing. A new group of monomers that show high potential for replacing traditional highly volatile reactive diluents are salicylate (meth)acrylates. In this work, salicylate-based thinners are synthesized, polymerized, and characterized with respect to their viscosity, volatility, thermal stability, photoreactivity, and thermomechanical properties of their homopolymers. Additionally, a first example of their diluting effect in a highly viscous difunctional polyester urethane methacrylate is demonstrated with 30 wt% of a cycloaliphatically and an aromatically substituted salicylate methacrylate. The polymers of the diluted resin exhibit similarly high glass transition temperatures of 110 and 126 °C, which are in the range of the polymers of the undiluted resin. 相似文献