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Convolutional Neural Networks for Biometrics Applications
Published 2022-01-01“…After the CNN was invented by Leon O. Chua and Lee Yang in 1988, researchers transformed a neural network into a CPU with thousands of cores. …”
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82
Magnetic Field Effect on the Oxidation of Unsaturated Compounds by Molecular Oxygen
Published 2022-04-01“…The calculation of the total electronic energies and thermodynamic functions of the compounds involved in the reactions was performed by the density functional method with the hybrid exchange-correlation functional of Becke, Lee, Yang and Parr DFT B3LYP/6-311G** using the NWChem software package. …”
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83
Development of Predictive Antioxidant Models for 1,3,4-Oxadiazoles by Quantitative Structure Activity Relationship
Published 2019-06-01“…The entire data set of the oxadiazole derivatives were minimized and subsequently optimized at the density functional theory (DFT) level in combination with the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) hybrid functional and 6-311G* basis set. …”
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84
More on zeros and approximation of the Ising partition function
Published 2021-01-01“…Results on the zero-free region are interpreted as the absence of a phase transition in the Lee–Yang sense in the corresponding Ising model. The novel feature of the bounds is that they control the total interaction of each vertex but not every single interaction of sets of vertices. …”
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85
Computational Studies of Energetic Property Peculiarities in Trinitrophenyl-Substituted Nitramines
Published 2023-07-01“…This research was performed using Becke’s three-parameter hybrid functional approach with non-local correlation provided by Lee, Yang, and Parr and the cc-pVTZ basis set. The geometry, total energy, and heat of formation of the most stable conformers of the nitramines under study were obtained to obtain the density, resistance to shock stimuli, detonation pressure, and velocity of the materials under study. …”
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86
Universal anomalous fluctuations in charged single-file systems
Published 2024-03-01“…We determine the dynamical phase diagram in the framework of Lee–Yang's theory of phase transitions and exhibit a hyper-dimensional diagram of distinct dynamical regimes. …”
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87
Theoretical Investigation on Selected 3-Amino-5-[(2,4,6-trinitrophenyl)amino]-1<i>H</i>-1,2,4-triazole Salts with Energetic Anions: A Perspective
Published 2024-01-01“…The research was performed by Becke’s three-parameter hybrid functional approach, with non-local correlation provided by Lee, Yang, and Parr, and the cc-pVTZ basis set. The structure, total energy, and heat of formation, presented as binding energy per atom of the most stable compounds formed due to 3-amino-5-[(2,4,6-trinitrophenyl) amino]-1<i>H</i>-1,2,4-triazole (APATO) within selected salts, were obtained to foresee its influence on resistance to shock stimuli, detonation pressure, and velocity of the materials under study. …”
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88
Vibrational Study of Iodide-Based Room-Temperature Ionic-Liquid Effects on Candidate N719-Chromophore/Titania Interfaces for Dye-Sensitised Solar-Cell Applications from Ab-Initio B...
Published 2018-09-01“…The effect of Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) functionals on the vibrational spectra were assessed. …”
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Mechanistic insight of metalloporphyrin-based fluorescence sensor reacting with volatile organic compounds
Published 2020“…Molecular models of cobalt tetraphenylporphine (CoTPP) with small VOCs were investigated by the density functional theory (DFT) method at the Becke, 3-parameter, Lee–Yang–Parr (B3LYP) and LAN2DZ level. The relative energies of CoTPP and its complexes were calculated at three spin states (low, intermediate, and high) to obtain their optimized geometry structures. …”
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92
Color index of transformer oil: a low-cost measurement approach using ultraviolet-blue laser
Published 2021Article -
93
Quantum dots decorated polyaniline plastic nanocomposites as a novel amperometric sensor for formaldehyde: Experimental and theoretical approach
Published 2022-12-01“…The theoretical parameters (Becke's parameter, Lee-Yang-Par correlation functional, and Fukui functions) were determined by DFT, Forcite, COMPASS, and DMol3 modules. …”
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94
Induction brazing for rapid localized repair of Inconel 718
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95
Finger triggered virtual musical instruments
Published 2012Get full text
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96
Kajian Perencanaan Jaringan Long Term Evolution (LTE) Pada Node B 4G di Kota Tangerang Selatan
Published 2020-05-01“…Sedangkan berdasarkan coverage menggunakan model propagasi COST 231 dan Lee, didapatkan model propagasi Lee yang sesuai dengan parameter serta mencakup area lebih luas dibandingkan model propagasi COST 231. …”
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Spectroscopic characterization, electronic transitions and pharmacodynamic analysis of 1-Phenyl-1,3-butanedione: An effective agent for antipsychotic activity
Published 2023-06-01“…The density functional theory with the Becke, 3-parameter, Lee–Yang–Parr (B3LYP) technique and the 6-311++G(d,p) basis set is used to optimize the compound 1-Phenyl- 1,3-butanedione (1P1 3B). …”
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99
Structural, electronic, optical and thermodynamic properties of AlAuO2 and AlAu094Fe006O2 compounds scrutinized by density functional theory (DFT)
Published 2023-11-01“…Initially, the estimated bandgap of AlAuO2 0.45, 0.486, 0.419 and 2.49 eV in Perdew-Burke-Ernzerhof (PBE), Revised Perdew-Burke-Ernzerhof (RPBE), PBE for solids (PBE sol) and Becke three-parameter Lee-Yang-Parr (B3LYP) method respectively while AlAu094Fe006O2 has a zero-band gap after 6 % Fe doping. …”
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100
Experimental and Computational Studies on <i>N</i>-alkylation Reaction of <i>N</i>-Benzoyl 5-(Aminomethyl)Tetrazole
Published 2021-07-01“…In order to confirm the results obtained at the synthesis level, a computational study was carried out by application of density functional theory (DFT) using the Becke three-parameter hybrid exchange functional and the Lee-Yang-Parr correlation functional (B3LYP).…”
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