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10 merged results for "Quantum Chemical Calculations"

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. Spin-Correlated Wavelength-Intensity Dual Modulation in Organic Diradicals via Excited-State Channel Engineering.

    Zhu Y, Wang X, Barreca MT, Wang S · 2026 · Angewandte Chemie (International ed. in English)

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1002/anie.8767910

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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. Study on the Emission Properties and Emission Mechanism of Cellulose Nanocrystal Doped 2-Octenyl Succinic Anhydride Powder.

    Lei X, Xu W, Bai G, Liao T · 2026 · ChemPlusChem

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1002/cplu.70287

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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. Molecular insights into antiamyloidogenic properties of epigallocatechin gallate (EGCG) against zinc-bound β-amyloid using molecular dynamics simulations and Markov state model.

    Manzoor S, Moin ST, Hofer TS · 2026 · European biophysics journal : EBJ

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00249-026-01865-0

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    • not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
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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. Betaine/urea deep eutectic solvent with non-precipitative recovery enables high-quality soy protein isolation: Mechanistic and functional characterization.

    Xie F, Zhang B, Xuan S, Zhang Q · 2026 · Food chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.foodchem.2026.151784

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    • not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
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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. Metastable Adducts as a Route to Silver Thiolate Processing on the Way to New Thiorenes: Structural, Spectroscopy, and Computational Data.

    Zhuravlev DK, Tatarinova KS, Cheshev DL, Maksimov AM · 2026 · Inorganic chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.inorgchem.6c03353

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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. Photoswitching in P-Centered Biradicaloid- and Tetraradicaloid-Group 4 Metallocene Hybrids.

    Tayebi Z, Ritika R, Lüdtke KP, Bresien J · 2026 · Inorganic chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.inorgchem.6c03999

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    • not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
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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. Small-Molecule 1H and 13C NMR: From Chemical-Shift Prediction to Automated Structure Elucidation.

    Dong T, Deng C, Tai L, Zhang M · 2026 · Journal of chemical information and modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jcim.6c02915

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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. Lactonization-Controlled Electrostatic Potential Redistribution for Modulating Intramolecular Charge Transfer and Luminescent Behavior.

    Meng F, Zhang XY, Han R, Wang YY · 2026 · The Journal of organic chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.joc.6c01730

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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. Heteroatom effects on tricyclic fused aromatic molecules revealed by rotational spectroscopy.

    Hussain FS, Osseiran N, Crutchfield MA, Lesarri A · 2026 · Physical chemistry chemical physics : PCCP

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6cp02412b

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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. Tunable giant anomalous Hall effect in bilayer magnetic topological insulator.

    G B, Kabir M · 2026 · Journal of physics. Condensed matter : an Institute of Physics journal

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1088/1361-648x/aebfe1

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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