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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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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Salem, Lionel, Hoffmann, Roald, Otto, Peter
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 1973
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC433298/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16592060/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.70.2.531
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