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On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function
The degree of p-electron (de)localization and aromaticity of a series of polybenzenoid hydrocarbons (PBHs) has been analyzed through the π-contribution to the electron localization function (ELFπ), calculated at the B3LYP/6-311G(d,p) hybrid density functional theory level. The extent of p-electron d...
में बचाया:
| मुख्य लेखकों: | , , , , |
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| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
MDPI AG
2010-08-01
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| श्रृंखला: | Symmetry |
| विषय: | |
| ऑनलाइन पहुंच: | http://www.mdpi.com/2073-8994/2/3/1653/ |
| टैग : |
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