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Spectroscopic, DFT, anti-bacterial, and in-silico investigations of novel semicarbazone and thiosemicarbazone synthesised from asymmetrical chalcones
Published 2025-04-01“…Also, density functional theory (DFT) was used to compute quantum computations such as HOMO, LUMO, and chemical descriptors. …”
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Integrating engineered nanomaterials with extracellular vesicles: advancing targeted drug delivery and biomedical applications
Published 2025-01-01“…Methodologies for integrating diverse nanocarriers like nanoparticles, liposomes, and quantum dots into EVs are discussed, along with characterization methods such as electron microscopy and light scattering. …”
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Nano-Azo Ligand and Its Superhydrophobic Complexes: Synthesis, Characterization, DFT, Contact Angle, Molecular Docking, and Antimicrobial Studies
Published 2020-01-01“…The molecular and electronic structure of H2L and [Cd(H2L)Cl2].H2O were optimized theoretically, and the quantum chemical parameters were calculated. The biological activities of the ligand, as well as its metal complexes, have been tested in vitro against some bacteria and fungi species. …”
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Ultra‐Broad Emission Copper Halide Scintillator‐Based X‐Ray Imager
Published 2025-01-01“…Benefiting from the large Stokes shift and ultra‐broad emission band enabled by the dual STE, the self‐absorption‐free TPACI scintillator exhibits efficient white light emission with a high photoluminescence quantum yields of 94.27%, a high light yield of ≈40124 photons MeV−1. …”
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EASTERN MYSTICISM AND TIMOTHY LEARY: HUMAN BEYOND THE CONVENTIONAL REALITY
Published 2017-06-01“…The complex multifaceted essence of human as a biological, psychological, social being has attracted the attention of researchers and has caused hot debates during centuries. …”
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A distinct double-ring LH1–LH2 photocomplex from an extremophilic phototroph
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Magnetocaloric Effect for a <i>Q</i>-Clock-Type System
Published 2024-12-01“…Given the broader relevance of the <i>Q</i>-state clock model in areas such as percolation theory, neural networks, and biological systems, where multi-state interactions are essential, our study provides a robust framework in applied quantum mechanics, statistical physics, and related fields.…”
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