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10 merged results for "ReaxFF"

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. Reaction mechanisms of propionic acid pyrolysis, hydrolysis, and H(2) production during the thermal decomposition in various alcohol environments: a ReaxFF molecular dynamics.

    Celik FA, Yang Y, Yılmaz M, Karabulut E · 2026 · Journal of molecular modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00894-026-07033-7

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  2. Hydrothermal degradation mechanism and kinetics of 4'-O-methylpyridoxine and its glucoside in Ginkgo biloba L. seeds.

    Kong Y, Wang Y, Li F, Wang Y · 2026 · Food research international (Ottawa, Ont.)

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.foodres.2026.120938

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  3. Detoxification of Chlorinated Dioxins and Furans in Soils via One-Step, Self-Sustaining Smoldering.

    Zhan M, Wan H, Fu J, Shan Y · 2026 · Environmental science & technology

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.est.6c09408

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  4. Uncertainty-Aware Reactive Force Field Potentials for Materials via Physics-Informed Bayesian Optimization.

    Bae JH, Park SD, Kim SY · 2026 · Journal of chemical theory and computation

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jctc.6c01100

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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. A New Reactive Force Field for NOx-Water Interactions: Development, Evaluation, and Molecular Dynamics Simulation of Peroxynitrite.

    Shaban M, van Duin ACT, van Duin D, Kowalik M · 2026 · The journal of physical chemistry. B

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jpcb.6c03657

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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. Composition-Controlled Hydrogen-Bond Restructuring and Interfacial Transport in Glycerol-Ethanol Mixtures for Orange Essential Oil Separation: Experiments and Multiscale Modeling.

    Cai G, Zhang R, Qiu F, Xiong W · 2026 · The journal of physical chemistry. B

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jpcb.6c04867

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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. A Microscopic View of Protein Soft and Reactive Landing on Flexible Polyethylene Glycol Surfaces.

    Bertolini S, Delcorte A · 2026 · ACS applied materials & interfaces

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acsami.6c17719

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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. Optimization and Application of ReaxFF for the Aqueous Carbonation of Calcium Silicates in Steel Slag.

    Li TX, Yu P, Liu LD, Zeng YN · 2026 · ACS omega

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acsomega.6c09092

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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. Reactive Molecular Dynamics Simulations of Proton Transport in PFSA Membranes: Hydration-Temperature Mechanism Crossover and Cold-Start Implications.

    Lu H, Qi W, Lai M, Ye H · 2026 · Membranes

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.3390/membranes16100335

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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. Atomistic Insights into Oxidation Mechanisms in Chemical-Mechanical Polishing of Diamond.

    Wang K, Wang Y, Li M, Li X · 2026 · Micromachines

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.3390/mi17101107

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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