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: Jhon, Mu Shik, Cho, Ung-Ln, Kier, Lemont B., Eyring, Henry
Format: Artigo
Jezik:Inglês
Izdano: 1972
Teme:
Physical Sciences: Chemistry
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC427558/
https://ncbi.nlm.nih.gov/pubmed/16591963
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