Atomic Population of Effectively Localized Electrons of Polycyclic Aromatic Hydrocarbons with the KP16/B13 Density Functional /
Polycyclic aromatic hydrocarbons, also known as PAHs, have been studied by scientists for over a century. Besides their large volume and low molecular weight, presentations of past findings show that most neutral ground state PAHs possess a closed-shell electronic configuration. Several years ago, n...
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| Main Author: | |
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| Format: | Thesis Electronic eBook |
| Language: | English |
| Published: |
Ann Arbor, MI :
ProQuest LLC,
2021.
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| Subjects: | |
| Online Access: | CONNECT |
