Distinct 2D <i>p</i>(2 × 2) Sn/Cu(111) Superstructure at Low Temperature: Experimental Characterization and DFT Calculations of Its Geometry and Electronic Structure. [PDF]
Nanomaterials (Basel)Liang X, Luh DA, Cheng CM.
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Advanced Materials, EarlyView.A hierarchical flexible ceramic nanofiber membrane integrates a La‐stabilized ZrO2 scaffold with superhydrophobic UiO‐66‐NH2/CdS heterojunctions. The gas–liquid–solid interfacial architecture sustains vapor‐selective desalination, visible‐light charge separation, and rapid H2 extraction, enabling simultaneous freshwater production and photocatalytic ...
Pengfei Lin +9 more
wiley +1 more source
Microwaved schiff base dialdehyde cellulose-chitosan hydrogels for sustained drug release with DFT calculations. [PDF]
BMC ChemTohamy HS.
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Dissecting the Diverse Reactivity of β-Diketiminate Aluminum(I) Compound towards Azaarenes: Insight From DFT Calculations. [PDF]
ChemistryChan KL, Lau PF, Lin Z.
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Exploring the Stability and Electronic Properties of Janus TMCSe Monolayers via DFT Calculations. [PDF]
ACS OmegaCampos Ortiz LÁ +6 more
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A novel anthocyanins hydroxyethyl cellulose film for intelligent chicken meat packaging with mechanical study, DFT calculations and molecular docking study. [PDF]
Sci RepTohamy HS.
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Synthesis and Biological Assessment of Cyanopyridine-Based 1,3,4-Oxadiazole Derivatives: Anticancer Potential, Antioxidant Activity, Molecular Docking, and DFT Calculations. [PDF]
J Biochem Mol ToxicolZebbiche Z +6 more
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Synthesis, crystal structure, DFT calculations, in-vitro and in-silico studies of novel chromone-isoxazoline conjugates as antibacterial and anti-inflammatory agents. [PDF]
Sci RepBouzammit R +11 more
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High-Entropy Alloys - DFT Calculations
Data from DFT calculations.
Bartosz Rusin
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