Showing 41 - 60 results of 2,057 for search '(( significant gap decrease ) OR ( significant ((small decrease) OR (step decrease)) ))', query time: 0.54s Refine Results
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    Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures by Ahmed Mohamed (628889)

    Published 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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    Significant condition. by Junxia Zhou (14381598)

    Published 2024
    “…Micro-cracks appeared in the cemented body by Day 7, resulting in a slight decrease in strength (3.92%) from Day 3 to Day 7. The formation of well-developed needle-like AFt, C-(A)S-H gel, and small-volume plate-like CH contributed to uniform cementation and a denser structure. …”