Results 71 to 80 of about 176,963 (294)
DFTS on Irregular Grids: The Anterpolated DFT
, 1992 Abstract : In many instances the discrete Fourier transform (DFT) is desired for a data set that occurs on an irregular grid. Commonly the data are interpolated to a regular grid, and a fast Fourier transform (FFT) is then applied. A drawback to this approach is that typically the data have unknown smoothness properties, so that the error in the ...
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Structural and Mechanical Properties of Orthorhombic Libeh3: AB-Initio Study
Annals of West University of Timisoara: PhysicsThe structural parameters and the elastic properties of orthorhombic LiBeH3 material were predicted theoretically using the density functional theory (DFT).
Rahrah M. +4 more
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Advanced Functional Materials, EarlyView.Molecular engineering of a nonconjugated radical polymer enables a significant enhancement of the glass transition temperature. The amorphous nature and tunability of the polymer, arising from its nonconjugated backbone, facilitates the fabrication of organic memristive devices with an exceptionally high yield (>95%), as well as substantial ...
Daeun Kim +14 more
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Physical properties of ternary chloro-perovskites KTCl3 (T = Ge, Al) for optoelectronic applications
Open PhysicsThis study uses density functional theory to investigate various properties of ternary chloro-perovskites, KTCl3 (T = Ge or Al). Both compounds have a cubic structure with lattice parameters of 5.159 Å for KAlCl3 and 5.378 Å for KGeCl3.
Tahir Muhammad +10 more
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Antioxidants, 2019 Antioxidant peptides derived from natural products have superior performance and broader application prospects. In this study, five novel antioxidant peptides were prepared from Paeonia ostii (P.
Min Wang +6 more
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Hermitian Symmetric DFT Codes: A New Class of Complex DFT Codes
IEEE Transactions on Signal Processing, 2012 We introduce a new class of real number codes derived from DFT matrix, Hermitian symmetric DFT (HSDFT) codes. We propose a new decoding algorithm based on coding-theoretic as well as subspace based approach. Decoding of HSDFT codes requires only real arithmetic operations and smaller dimension matrices compared to the decoding of the state-of-art real ...
Kumar, A. Anil, Makur, Anamitra
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Advanced Functional Materials, EarlyView.Precursor‐ and solvent‐mediated synthesis yields four Cu3(HHTP)2 morphologies with distinct physicochemical, sorption, and sensing properties toward SO2. Uptake capacities correlate with BET surface area, while sensing performance scales with particle aspect ratio.
Patrick Damacet +5 more
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The study of optical and colossal dielectric properties of (Cu, Ga)-doped ZnO nanoparticles
Engineering and Applied Science Research, 2021 In this work, we have studied optical and dielectric properties of (Ga, Cu)-doped ZnO nanoparticles in both theoretical and experimental aspects. In an experimental approach, we have synthesized ZnO, Ga-doped ZnO, Cu-doped ZnO, and (Ga, Cu)-codoped ZnO ...
Theeranuch Nachaithong +5 more
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Investigate the electrical and thermoelectric properties of M@C60 where (M=Co, Ni): A DFT study [PDF]
مجلة جامعة الانبار للعلوم الصرفةDensity functional theory combined with nonequivalent greens function was carried out to study the M@C60 single-molecule junctions between two gold electrodes, where M=Co and Ni.
Anhar alfahdawi, Alaa Al-Jobory
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