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10 merged results for "Density-Functional Theory"

Partial results: at least one source did not answer. Available results are shown rather than treating an upstream outage as zero matches.

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  1. Anchoring Pd Single Atoms on N-Doped MOF-Derived TiO(2) for Photocatalytic Hydrogen Evolution With an Ultra-High Rate up to 185.8 mmol g(-1) h(-1).

    Yang X, Jia G, Li W, Xie M · 2026 · Advanced science (Weinheim, Baden-Wurttemberg, Germany)

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1002/advs.78590

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  2. Substituent-regulated charge transfer, aggregation-induced emission, and lipid recognition in naphthalimide fluorophores for latent fingerprint imaging.

    Na D, Tang ZW, Lu JM, Li JY · 2026 · Analytica chimica acta

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.aca.2026.346341

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  3. A quinoline derived first Schiff base silatrane for selective Be(II) sensing by UV-visible spectroscopy and fluorescence quenching: experimental and theoretical approach.

    Singh G, Anshu, Bhardwaj R, Singh KN · 2026 · Analytica chimica acta

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.aca.2026.346379

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  4. Machine learning-guided TsOH/glycerol fractionation of sugarcane bagasse for fermentable sugar production: Experimental validation and molecular insights.

    Azad SA, Shetu TN, Kargaran E, Sun C · 2026 · Bioresource technology

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.biortech.2026.136213

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  5. Deciphering the dominant interfacial active sites in MOF-derived FeCu@C for peroxydisulfate activation towards sustainable tetracycline detoxification: A combined experimental and DFT study.

    Yao L, Chen X, Li N, Xu S · 2026 · Environmental research

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.envres.2026.126141

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  6. Molecularly engineered ultrabright AIE nanoparticles for sensitive lateral flow immunoassay of zearalenone.

    Liu M, Wang Q, Li S, Zhang G · 2026 · Food chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.foodchem.2026.151897

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  7. DFT and TD-DFT investigation of metal-decorated borazine as molecular sensors for acetohydrazide: Energetic, electronic, NBO, QTAIM, and NCI-RDG insights.

    Riadi Y, Geesi MH, Alanazi A, Zeroual A · 2026 · Journal of molecular graphics & modelling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.jmgm.2026.109644

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  8. A Competing C-Terminal β-Turn Controls Frame-Dependent Stability of Collagen Triple Helices.

    Naha A, Ghosh A, Sarma BK · 2026 · Biomacromolecules

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.biomac.6c01329

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  9. Imidazo[1,2-a]pyridine-based donor-π-acceptor organic fluorophores with aggregation-induced emission and live-cell imaging studies.

    Soliya S, Bhattad G, Kanvah S, Areti S · 2026 · Organic & biomolecular chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6ob01550f

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  10. Graphics processing unit-accelerated quantum simulation for molecular biology and drug discovery: algorithms, platforms, and emerging applications.

    Chen YL, Lee OK · 2026 · Briefings in bioinformatics

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1093/bib/bbag629

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer