Model calculations of the interaction of two parallel antiaromatic 4n π-electron systems
The nature of the interaction between decks of a pentalene dimer and an s-indacene dimer has been studied by semi-empirical MNDO/1 and MINDO/3 calculations for distances between decks of from 5 Å to 2 Å. In contradiction to qualitative predictions from a frontier orbital analysis, it is found that t...
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| 出版年: | Proc Natl Acad Sci U S A |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
National Academy of Sciences
1984
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC345111/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16593458/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.81.8.2589 |
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