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The Energy of Substituted Ethanes. Asymmetry Orbitals

The leading terms in the energy of a general substituted ethane are derived in explicit form as a function of the torsional angle θ, the substituent electronegativities, and their mutual overlaps. The energy is found to be the sum of all four overlaps between pairs of asymmetry orbitals, and satisfi...

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Bibliografische gegevens
Hoofdauteurs: Salem, Lionel, Hoffmann, Roald, Otto, Peter
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: National Academy of Sciences 1973
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC433298/
https://ncbi.nlm.nih.gov/pubmed/16592060
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