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18081
Engineering of Metal–Organic Framework-Derived CoTiO<sub>3</sub> Micro-Prisms for Lithium-Ion Batteries
Published 2024-12-01“…The experimental results indicate the substitutional doping of Ni<sup>2+</sup> for Co<sup>2+</sup> in CoTiO<sub>3</sub> (CTO), leading to improved conductivity, as further confirmed by density functional theory calculations. Thus, the carbon-free sample of Ni-doped CTO exhibits improved lithium storage properties compared to the pristine one. …”
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18082
The Concept of Greater Europe from Lisbon to Vladivostok: Problems and Perspectives
Published 2015-04-01“…The author speaks about close historical and cultural ties connecting Russia and Europe, outward and mental resemblance of the peoples of Europe, including Russians.For the first time the theory of Greater Europe was considered in the works of geopoliticians of the beginning and the middle of the twentieth century. …”
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18083
Evolution of the “Production-Living-Ecological” space of urban trituration and its prediction of carbon mitigation potential–The case of Xi’an
Published 2025-02-01“…Under the perspective of spatial low-carbon optimization, revealing the changes in the production-living-ecological space pattern and its carbon emission pattern of the historical capital-type city is of great significance for deepening the theory of land use transformation and helping the country achieve its dual-carbon goal. …”
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18084
ТРАНСЦЕНДЕНТНОЕ ПРОСТРАНСТВО ГЕНДЕРА
Published 2014-06-01“…In order to investigate a theoretical framework in feminist philosophy, methodological tools of communicative pragmatics and discursive ethics that were elaborated by modern German philosophers J. …”
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18085
Dysplasia in Ulcerative Colitis
Published 1990-01-01“…Cancers which are resected but from which the patient survives are an acceptable outcome, although less so in theory, as survival is to a certain extent fortuitous. …”
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18086
Molecular Structure and Electronic Properties of Porphyrin-Thiophene-Perylene Using Quantum Chemical Calculation
Published 2010-01-01“…The results from the method validation revealed that using the density functional theory approach at B3LYP/6–31G(d) data set was the optimal one, considering the accuracy attained and maintaining the computer time required within tractable limits. …”
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18087
A Discussion of Stability and Engineering Verification of Thin Immediate Roof under Uniform Load of the Rectangular Coal Roadway
Published 2020-01-01“…At present, the analysis of roof stability is mainly based on numerical calculations and field measurements with a relatively weak theoretical basis and inadequate research studies on the loading mechanism of the roof. …”
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18088
Nonlinear Random Response Analyses of Panels Considering Transverse Shear Deformations under Combined Thermal and Acoustic Loads
Published 2018-01-01“…The panels are modeled based on the first-order shear deformation theory (FSDT) to account for transverse shear deformations. …”
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18089
The Story of a Thing: A Frame-Analytic Perspective on a Biographical Approach to Materiality
Published 2024-12-01“…It is argued that frame theory has a conceptual apparatus relevant for explaining changes in biography, which considers the relationality of meaning-making, the qualities of a thing per se, and the dispersed (as opposed to linear) nature of these changes.…”
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18090
Construction of Gene Regulatory Networks Using Recurrent Neural Networks and Swarm Intelligence
Published 2016-01-01“…We have used established information and the fundamental mathematical theory for this purpose. We have employed the Recurrent Neural Network formalism to extract the underlying dynamics present in the time series expression data accurately. …”
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18091
Identification of Psychological Crisis Signals of College Students Based on the Dufferin Equation
Published 2021-01-01“…Based on defining the conceptual connotation of college students’ psychological crisis behavior system, the vulnerability of college students’ psychological crisis behavior system is interpreted from the perspective of system self-organization theory, and the vulnerability of college students’ psychological crisis behavior is mainly expressed in latent and manifest states, and its vulnerability transformation is a self-organization process. …”
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18092
Fretting behavior of piston ring-cylinder liner components of a diesel engine running on TiO2 nanolubricant
Published 2022-12-01“…Dynamic light scattering was utilized to examine the nanoparticle dispersion in the lubricant. Thermo-gravimetric analysis on nanoparticles was conducted to examine the thermal endurance during abrasion tests. …”
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18093
Efficient ZrO(NO3)2.2H2O Catalyzed Synthesis of 1H-Indazolo[1,2-b] phthalazine-1,6,11(13H)-triones and Electronic Properties Analyses, Vibrational Frequencies, NMR Chemical Shift A...
Published 2020-01-01“…The synthesis of 1H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione derivatives, using one-pot three-component condensation reaction of 3-nitrophthalic anhydride, hydrazine monohydrate, dimedone, and aromatic aldehydes in the presence of ZrO(NO3)2.2H2O as the novel catalyst and in reflux conditions in EtOH was reported. Quantum theoretical calculations for three structures of compounds (5a, 5b, and 5c) were performed using the Hartree–Fock (HF) and density functional theory (DFT). …”
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18094
Age of First Suicide Attempt in Men and Women: An Admixture Analysis
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18095
RS, S (+) - and R (−)-ibuprofen cocrystal polymorphs: Vibrational spectra, XRD measurement and DFT calculation studies
Published 2025-02-01“…In addition, in order to verify the successful preparation of them, we used density functional theory (DFT) to optimize and simulate the theoretical structures of the RS-IBU: NIC cocrystal polymorphs, and compared the simulated results with the experimental results. …”
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18096
New Method for Analyzing the Flutter Stability of Hingeless Blades with Advanced Geometric Configurations in Hovering
Published 2020-01-01“…The flutter stabilities of swept tip blades with different aspect ratios are analyzed using the new method developed in this work and the usual method on the basis of the unsteady strip theory and beam model. It shows that considerable differences appear in the flutter rotational velocities with the decrease of the aspect ratio. …”
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18097
O szabrze (glosa porządkująca rozważania językoznawcze) / On szaber (a Gloss on the Linguistic Considerations)
Published 2025-02-01“…The article presents the existing theories related to the etymology of the lexeme, which can be encountered in Germanic and Polish studies. …”
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18098
Three-Dimensional Physical Similarity Simulation of the Deformation and Failure of a Gas Extraction Surface Well in a Mining Area
Published 2020-01-01“…To provide information for the design of gas extraction surface wells in mining areas, the deformation and failure of surface wells with different materials under the influence of mining-induced rock movement were analyzed based on a three-dimensional physical similarity simulation and key strata theory. The research findings reveal that the fractures in the overlying strata had an elliptic-parabolic shape. …”
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18099
A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations
Published 2023-01-01“…Furthermore, assessments of molecular electrostatic potential surface (MEPS), density functional theory (DFT), and absorption, distribution, metabolism, excretion, and toxicity (ADMET) were performed, and a few of them appeared to have potential as candidates for oral administration. …”
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18100
Legal certainty as a requirement for the formalization of legal norms
Published 2024-06-01“…The research can be used in the educational process when teaching the theory of law and industry-specific legal disciplines.…”
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