Search alternatives:
small decrease » small increased (Expand Search)
step decrease » sizes decrease (Expand Search), teer decrease (Expand Search), we decrease (Expand Search)
gap decrease » a decrease (Expand Search), gain decreased (Expand Search), mean decrease (Expand Search)
small decrease » small increased (Expand Search)
step decrease » sizes decrease (Expand Search), teer decrease (Expand Search), we decrease (Expand Search)
gap decrease » a decrease (Expand Search), gain decreased (Expand Search), mean decrease (Expand Search)
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Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures
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.
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. …”