DFT and QTAIM analysis of fluorenol and fluorenone in molecular nanoelectronics.

Sci Rep · 2025 · PMC12214621 · PMID 40595075

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a decreasing trendno p-value reported

The DOS plots confirm the results reported in Table 1 , where a decreasing trend in the energy gap with increasing electric field intensity was documented.

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a clear trendno p-value reported

The oxygen atom (O20) in both structures shows a clear trend of accumulating more negative charge with increasing field strength.

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