Results 1 to 10 of about 1,051,029 (290)
The Dual Descriptor Reveals the Janus–Faced Behaviour of Diiodine [PDF]
Frontiers in Chemistry, 2022 The Janus–faced ligand behavior of diiodine (I2) was evidenced after applying the dual descriptor (DD or second-order Fukui function), thus providing additional support to the work performed by Rogachev and Hoffmann in 2013.
Jorge I. Martínez-Araya
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Person Re-Identification Method Based on Dual Descriptor Feature Enhancement [PDF]
Entropy, 2023 Person re-identification is a technology used to identify individuals across different cameras. Existing methods involve extracting features from an input image and using a single feature for matching.
Ronghui Lin +5 more
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A dual-descriptor machine learning framework for evaluating perovskite passivation materials [PDF]
RSC AdvancesMolecular passivation plays a crucial role in improving the efficiency and stability of perovskite optoelectronic devices. However, quantitative evaluation of passivation materials remains challenging because interfacial binding strength and lattice ...
Yao Lu +9 more
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Orbital: The Electronic Journal of Chemistry, 2021 In the present work, a combined approach based on conceptual-DFT formalism and molecular docking simulations were performed to investigate the chemical reactivity of six Benzodiazepine analogs.
Rachida Djebaili +6 more
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A DFT study of the chemical reactivity of thiobencarb and its oxidized derivatives in aqueous phase [PDF]
Journal of the Serbian Chemical Society, 2018 In the present work, the global and local reactivity of S-(4-chlorobenzyl)- N,N-diethylthiocarbamate (TB) and its oxidized derivatives (sulfone (TBSu) and sulfoxide (TBS) were analyzed. In addition, the chemical reactivities of the dechlorinated forms of
Mendoza-Huizar Luis Humberto
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Advanced Science, 2022 Urea electrosynthesis under mild conditions starting from the adsorption of inert N2 molecules has brought out a promising alternative experimentally to conquer its huge energy consumption in industrial Haber‐Bosch process.
Changyan Zhu +6 more
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Polarimetric Decomposition With an Urban Area Descriptor for Compact Polarimetric SAR Data
IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 2021 The compact polarimetric (CP) synthetic aperture radar (SAR) can alleviate the drawbacks of the fully polarimetric (FP) SAR and provide more target information as compared to the conventional single polarimetric and dual polarimetric mode.
Qiang Yin +4 more
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Frontiers in Chemistry, 2018 This computational study assessed eight fixed RSH (range-separated hybrid) density functionals that include CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD related to the Def2TZVP basis sets together with the SMD solvation model in the ...
Juan Frau +2 more
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Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT
Molecules, 2018 This computational study presents the assessment of eleven density functionals that include CAM-B3LYP, LC-wPBE, M11, M11L, MN12L, MN12SX, N12, N12SX, wB97, wB97X and wB97XD related to the Def2TZVP basis sets together with the Solvation Model Density (SMD)
Juan Frau, Daniel Glossman-Mitnik
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Local descriptor for retinal fundus image registration
IET Computer Vision, 2020 A feature‐based retinal image registration (RIR) technique aligns multiple fundus images and composed of pre‐processing, feature point extraction, feature descriptor, matching and geometrical transformation.
Roziana Ramli +7 more
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