Crystalline polar metallocenes are potentially useful active materials as piezoelectrics, ferroelectrics, and multiferroics. Within density functional theory (DFT), we computed structural properties, energy differences for various phases, molecular configurations, and magnetic states, computed polarizations for different polar crystal structures, and ...
Haiwu Zhang, B.Yu. Yavorsky, R.E. Cohen
openaire +3 more sources
Use of foliar fertilizers on soybeans in the Republic of Tatarstan
In 2018, studies were conducted to assess the impact of foliar feeding with complex fertilizers on the yield and grain quality of two soybean varieties.
Kolesar Valeria +3 more
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In the present paper, the photophysical properties of metallocene-4-amino-1,8-naphthalimide-piperazine molecules (1-M2+), as well as their oxidized and protonated derivatives (1−M3+, 1-M2+-H+, and 1-M3+-H+), where M = Fe, Co, and Ni, were studied via DFT
Christina Eleftheria Tzeliou +1 more
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Copolymerization of ethylene with norbornene by using metallocene/TIBA/B(C6F5)3 system [PDF]
Cyclic olefin copolymer is a type of high-performance polyolefin material, which is prepared by using a single-site catalyst in solution polymerization. The common activator of this system is alkyl aluminoxane or organic boron/aluminum system.
Wei Wang +7 more
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Active site nature of magnesium dichloride-supported titanocene catalysts in olefin polymerization [PDF]
Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. In our previous study, it was reported that MgCl2-supported titanocenecatalysts can generate both Ziegler-Natta-type ...
Toshiaki Taniike +2 more
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The paper reports the synthesis of carbon nanotubes from ethanol over group VIII (Fe, Co, Ni) catalysts derived from corresponding metallocenes. Several unexpected cooperative effects are reported, which are never observed in the case of individual ...
Aida R. Karaeva +4 more
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Synthesis of Metallocene Catalyst for Terpolymerization of Ethylene, Propylene and Diene [PDF]
The bis(indenyl) zirconium dichloride catalyst was synthesized by a modified method at room temperature. Terpolymerization of ethylene, propylene and diene monomers were carried out using this metallocene catalyst under different conditions of different ...
S.M.M. Mortazavi +4 more
doaj +1 more source
Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene [PDF]
The aromatic/antiaromatic behavior of the cyclopentadienyl anion (Cp-), bis(η5-cyclopentadienyl)iron(II) (Fe(Cp)2), as well as of the Jahn-Teller (JT) active cyclopentadienyl radical (Cp∙) and bis(η5-cyclopentadienyl)cobalt(II) (Co(Cp)2) has ...
Anđelković Ljubica +3 more
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Immobilizing metallocene by solid polymethylaluminoxane “sMAO” for slurry-phase ethylene-1-hexene copolymerization [PDF]
In the field of olefin catalytic polymerization, metallocene catalysts show higher activity than traditional Ziegler-Natta catalysts. In this study, benzoic acid catalyzed the controlled hydrolysis of trimethylaluminum (TMA) to methylaluminoxane (MAO ...
Wu Chaofan +5 more
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Kinetic and microstructural studies of Cp2ZrCl2 and Cp2HfCl2-catalyzed oligomerization of higher α-olefins in mPAO oil base stocks production [PDF]
Herein a quenched-flow kinetic technique was applied to calculate the rate constants of 1-hexene and 1-octene oligomerization catalyzed by the Cp2ZrCl2 and Cp2HfCl2/MAO catalyst systems, and subsequently a mechanism for the higher α-olefin ...
Ahad Hanifpour +4 more
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