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10 merged results for "Continuum Solvation Models"

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. Near Resonant Raman Optical Activity Study of the Complex Cation Tris(ethylenediamine)cobalt(III) in Water: Experiment and DFT Calculation.

    Raju MS, Kordestani N, Duverger-Nédellec E, Danten Y · 2026 · Chirality

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1002/chir.70128

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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. Theoretical insights into the free radical scavenging mechanisms and metal chelating ability of lobelialsine: a DFT study.

    Trang HTT, Thuy PT, Ha NX · 2026 · Journal of molecular modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00894-026-06892-4

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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. Unveiling the effects of tautomerism, pH, and solvation on the UV/Vis spectrum of sulfapyridine: a joint theoretical and experimental study.

    Santos JLF, Sales LCP, Souza FL, de Souza GLC · 2026 · Journal of molecular modeling

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00894-026-06933-y

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    • supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
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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. (TD)DFT investigation of donor influence on the electronic and photovoltaic properties of D-π-A-π-A quinoxaline dyes.

    Soeiro MM, Rosa NMP, Borges I Jr · 2026 · Journal of molecular modeling

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1007/s00894-026-06944-9

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    • supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
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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. Thermodynamics of solvent competition in mixed carbonate lithium-ion solvation: A DFT study of Li(+)(EC)(4-n)(DMC)(n) complexes.

    Prince BM · 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.2026.109562

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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. A Fully Frequency-Dependent Formulation of the Open Quantum System Polarizable Continuum Model.

    Gil G, Corni S, Guido CA · 2026 · Journal of chemical theory and computation

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jctc.6c00904

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    • not scoredPublication version: A publication version was supplied but is not scored. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
    • 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 Gradient-Corrected Polarizable Continuum Model for Improved Reaction Fields at the SCF Level.

    Kanamaru Y, Yoshida N, Matsui T · 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.6c00927

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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. Thermodynamics of Acidity and Photoacidity in trans-Resveratrol Analogues: The Role of Prototropic Tautomerism.

    Kováčová A, Michalík M, Lukeš V · 2026 · ACS omega

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acsomega.6c06306

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    • supportingOpen access status: Normalized open-access status: open. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
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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. Role of oscillatory solvent-mediated interactions for the differential capacitance of an electric double layer.

    Caetano DLZ, Caruso IP, de Carvalho SJ, Soares TA · 2026 · Physical chemistry chemical physics : PCCP

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6cp02163h

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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. Liquid-jet XPS and theoretical computations reveal solvation-driven shifts and deprotonation site in uracil.

    Fournier M, Procházka M, Dupuy R, Derbali E · 2026 · Physical chemistry chemical physics : PCCP

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6cp02480g

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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