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Coalescence of multiple topological orders in quasi-one-dimensional bismuth halide chains.
Nat Commun
January 2025
School of Physics, Beihang University, Haidian District, Beijing, China.
Topology is being widely adopted to understand and to categorize quantum matter in modern physics. The nexus of topology orders, which engenders distinct quantum phases with benefits to both fundamental research and practical applications for future quantum devices, can be driven by topological phase transition through modulating intrinsic or extrinsic ordering parameters. The conjoined topology, however, is still elusive in experiments due to the lack of suitable material platforms.
View Article and Find Full Text PDFSignal theory based encryption of faster-than-Nyquist signals for fiber and wireless transmission.
Commun Eng
January 2025
THz-Photonics Group, Technische Universität Braunschweig, Braunschweig, Germany.
New applications such as the Internet of Things, autonomous driving, Industry X.0 and many more will transmit sensitive information via fibers and over the air with envisioned data rates beyond terabits per second. Therefore, the encryption has to be simple, fast and spectrally efficient, so that the power consumption and latency are low and the scarce bandwidth is not wasted.
View Article and Find Full Text PDFExperimental and DFT Studies of Intermolecular Interaction-Assisted Oxindole Cyclization Reaction of Di-t-butyl 2-Aminophenyl-2-methyl Malonate.
Chem Pharm Bull (Tokyo)
January 2025
Department of Life Science and Biotechnology, Faculty of Chemistry, Materials and Bioengineering, Kansai University, 3-3-35 Yamate-cho, Suita, Osaka 564-8680, Japan.
Density functional theory calculations on the cyclization of di-t-butyl 2-(2-aminophenyl)-2-methyl malonate (1) to t-butyl 3-methyloxindole-3-carboxylate (2) reveal that acetic acid-assisted protonation of the carbonyl oxygen atom reduces the activation Gibbs free energy significantly lower than methanol-assisted pathways. Experimental data confirm that reaction concentration plays a pivotal role in oxindole formation. Experimental results also indicate distinct reaction mechanisms at low and high concentrations.
View Article and Find Full Text PDFGreen synthesis of a fluorescence optical probe for Fe based on Barberry derived carbon quantum dots: Deep insight on interaction from experimental and theoretical approach.
Spectrochim Acta A Mol Biomol Spectrosc
January 2025
A green facile method was developed to synthesize the carbon quantum dots from barberry, a native plant, as a new carbon source. The synthesis strategy is a simple one-step hydrothermal process without requiring hazardous chemical reagents. The spherical structure of b-CDs with an average particle size of 3.
View Article and Find Full Text PDFExploring the effect of Zr/B ratio on the stability and reactivity of activated ε-caprolactone complexes: A DFT, QTAIM and NCI study.
J Mol Graph Model
January 2025
Unit of Excellence in Computational Molecular Science and Catalysis, and Division of Chemistry, School of Science, University of Phayao, Phayao, 56000, Thailand. Electronic address:
Monomer insertion, leading to the formation of an activated monomer complex, is a critical step in cationic ring-opening polymerization (CROP) of cyclic monomers, such as ε-caprolactone (CL). In this study, Density Functional Theory (DFT) calculations were employed to investigate the structural and electronic properties of four activated complexes at two Zr:B ratios (1:2 and 1:1), where Zr is the cationic zirconocene catalyst, Cp₂ZrMe⁺, and B is the borate cocatalyst, [MeB(CF)] or [B(CF)]. Steric hindrance at the reactive site was analyzed using topographic steric maps, while inter- and intramolecular interactions of the complex systems were examined through the Quantum Theory of Atoms in Molecules (QTAIM) and non-covalent interaction (NCI) analyses.
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