Molecular Orbital Studies of Ethylenediamine Conformations
Semiempirical quantum mechanical treatments are applied to the ethylenediamine di-cation, mono-action, and neutral molecule by the use of the extended Huckel theory. The minimum energies of conformations of molecules for rotation about the CH(2)-CH(2) axis is found. The theoretical predictions for t...
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| Опубликовано в:: | Proc Natl Acad Sci U S A |
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| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
National Academy of Sciences
1972
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC427558/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16591963/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.69.1.121 |
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