DFT and QTAIM analysis of fluorenol and fluorenone in molecular nanoelectronics
Abstract This study investigates the electronic properties of Fluorenone (A) and Fluorenol (B) for potential applications in molecular nanoelectronics. Using Density Functional Theory (DFT), Quantum Theory of Atoms in Molecules (QTAIM), and Landauer transport theory, we analyze the impact of electri...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-06924-8 |
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