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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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| Main Authors: | , , , |
|---|---|
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
1972
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC427558/ https://ncbi.nlm.nih.gov/pubmed/16591963 |
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