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First Principles Study of Electronic, Vibrational, Elastic, and Thermodynamic Properties of Sc‐X (X = P, S, Se) Compounds
Published 2025-01-01“…In this regard, the mixing properties of the compounds were investigated on the basis of density functional theory using Quantum ESSPRESSO codes. The obtained results of structural stability, electronic and mechanical properties of the work were found to be consistent with the available literature data which validates the present computational approach. …”
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2162
Study of Multi-Service Networks and Communication Systems Using Distributed Network Technology in Mountain Areas
Published 2025-01-01“…It should be noted that the development of the digital economy directly depends on the introduction of advanced technologies: nanotechnology, biotechnology, complex energy systems technologies, quantum technologies, etc. At the same time, it is difficult to imagine the further development of corporate multiservice networks and communication systems without the widespread introduction of innovative technologies in a single information telecommunication infrastructure. …”
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2163
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2164
Extreme Electron‐Photon Interaction in Disordered Perovskites
Published 2025-02-01Get full text
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2165
End of the world brane dynamics in holographic 4d N $$ \mathcal{N} $$ = 4 SU(N) with 3d N $$ \mathcal{N} $$ = 2 boundary conditions
Published 2025-01-01“…We explore the interplay of bulk and boundary topological couplings and draw general lessons for the classification of cobordism defects of bulk quantum gravity theories in the swampland program.…”
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2166
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2167
Light-induced rearrangement from macrocyclic to bicyclic lactam: A case study of N-chlorinated laurolactam
Published 2024-12-01“…While only two radical adduct types were identified in the electron para magnetic resonance (EPR) (C-centered radical and chlorine radical), all eight possible products are observed in the NMR. Quantum chemical calculations provide deeper insights into reaction thermodynamics and kinetics, explaining why the N-centered radical was not observed. …”
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2168
Analysing the financial innovation-based characteristics of stock market efficiency using fuzzy decision-making technique
Published 2025-01-01“…First, selected criteria for the financial innovation-based characteristics of stock market efficiency are weighted. In this process, quantum spherical fuzzy sets based on DEMATEL are considered. …”
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2169
Design of a Free-Ruthenium In2S3 Crystalline Photosensitized Solar Cell
Published 2014-01-01“…The exposure of TiO2 eventually leads to a reaction with the electrolytes, resulting in lower quantum efficiency.…”
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2170
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2171
Performance Study of Ultraviolet AlGaN/GaN Light-Emitting Diodes Based on Superlattice Tunneling Junction
Published 2024-12-01“…In this study, we aim to enhance the internal quantum efficiency (IQE) of AlGaN-based ultraviolet (UV) light-emitting diodes (LEDs) by using the short-period AlGaN/GaN superlattice as a tunnel junction (TJ) to construct polarized structures. …”
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2172
Freestanding VO2 membranes on epidermal nanomesh for ultra-sensitive correlated breathable sensors
Published 2025-02-01“…Since our breathable sensors operate based on quantum-mechanical correlation effects, their sensitivity is 1−2 orders of magnitude higher than conventional tactile and respiratory sensors based on other materials. …”
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2173
Modeling predicts facile release of nitrite but not nitric oxide from the thionitrate CH3SNO2 with relevance to nitroglycerin bioactivation
Published 2024-12-01“…Hence, we determined barriers for NO and NO2 − production from the model thionitrate, CH3SNO2, using comprehensive high-level quantum chemistry calculations [CCSD(T)//MP2/aug-cc-pVTZ]. …”
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2174
On expansions for nonlinear systems Error estimates and convergence issues
Published 2023-01-01“…In particular, intrinsic formulas allowing to decouple time-dependent features from geometry-dependent features of the solution have been extensively studied.First, we give a didactic review of classical expansions for formal linear differential equations, including the celebrated Magnus expansion (associated with coordinates of the first kind) and Sussmann’s infinite product expansion (associated with coordinates of the second kind). Inspired by quantum mechanics, we introduce a new mixed expansion, designed to isolate the role of a time-invariant drift from the role of a time-varying perturbation.Second, in the context of nonlinear ordinary differential equations driven by regular vector fields, we give rigorous proofs of error estimates between the exact solution and finite approximations of the formal expansions. …”
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2175
Non vertical ionization-dissociation model for strong IR induced dissociation dynamics of $${{D}_{2}}O^{2+}$$
Published 2025-01-01“…The interplay between electronic and nuclear degrees of freedom determines the pathways and outcomes of molecular fragmentation. However, a full quantum mechanical treatment of electron-nuclear dynamics is computationally intensive. …”
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2176
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2177
Phase Pure Synthesis and Morphology Dependent Magnetization in Mn Doped ZnO Nanostructures
Published 2014-01-01“…Magnetic measurements by superconducting quantum interference device detected an enhanced trend of ferromagnetic interactions in thermally annealed compositions attributed to the improved structural morphology and crystalline refinement process.…”
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2178
A Pipelined Hardware Design of FNTT and INTT of CRYSTALS-Kyber PQC Algorithm
Published 2024-12-01“…Lattice-based post-quantum cryptography (PQC) algorithms demand number theoretic transform (NTT)-based polynomial multiplications. …”
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2179
Strongly Unforgeable Ring Signature Scheme from Lattices in the Standard Model
Published 2014-01-01“…Lattice-based ring signature schemes offer lower computational overhead and security from quantum attacks. In this paper, we offer a lattice-based scheme. …”
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2180
Numerical optimization by the PFEMCT-SIF method of the crack propagation of a linear elastic material
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