بدائل البحث:
significant decrease » significant increase (توسيع البحث), significantly increased (توسيع البحث)
significant decrease » significant increase (توسيع البحث), significantly increased (توسيع البحث)
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Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures
منشور في 2025"…The use of atomic Signatures as molecular descriptors successfully inferred correlations between different structural motifs and <i>E</i><sub>gap</sub>. The atomic fragments containing π-bonds in various aromatic compounds were found to be the most significant atomic Signatures, explaining nearly 50% of the variance in the data, with regression coefficients that decreased <i>E</i><sub>gap</sub>. …"
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Predicting Dinitrogen Activation and Coupling with Carbon Dioxide and Other Small Molecules by Methyleneborane: A Combined DFT and Machine Learning Study
منشور في 2025"…Machine learning analysis suggests that increasing the HOMO–LUMO gap or the charge on the boron atom or decreasing the charge of the nitrogen atom will reduce the reaction energies. …"
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Data Sheet 1_Gait adaptations in step length and push-off force during walking with functional asymmetry.pdf
منشور في 2025"…Results reveal that functional asymmetry disproportionately impacts propulsion, with constrained-leg force decreasing significantly at higher speed, while step length symmetry remains stable. …"
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Data_Sheet_1_Analysis of spatial and temporal characteristics and evolution of green total factor productivity in agriculture in the lower Yellow River basin.xlsx
منشور في 2024"…<p>The construction of ecological barriers in the Yellow River Basin represents a significant step toward reducing agricultural carbon emissions, achieving carbon neutrality, and reaching carbon peaking in China. …"
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Data used in the simulations.
منشور في 2025"…However, there is a significant knowledge gap regarding how current and future forest management practices will affect carbon turnover time. …"
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Ambient Air Pollutant Dynamics (2010–2025) and the Exceptional Winter 2016–17 Pollution Episode: Implications for a Uranium/Arsenic Exposure Event
منشور في 2025"…Mean Imputation Fallback for Predictors:</i> Any remaining gaps in these non-PM₂.₅ pollutant columns (after linear interpolation) were filled using the overall column mean (sklearn.impute.SimpleImputer(strategy='mean')) to ensure a complete predictor set for the subsequent step. …"