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Abstract:

Difficulties arise in the MO treatment of π-electron systems due to electron correlation. Current methods allow, explicitly to some extent, for horizontal correlation (i.e., correlation of electron motions parallel to the carbon skeleton) but not for vertical correlation, (i.e., correlation of electron interchange between the two π lobes). A method for doing this, first suggested by M. J. S. Dewar and C. E. Wulfman [J. Chem. Phys. 29, 158, (1958)], is outlined and applied to ethylene with satisfactory results.

Registro:

Documento: Artículo
Título:The SPO (split p-orbital) method and its application to ethylene
Autor:Dewar, M.J.S.; Hojvat, N.L.
Filiación:George Herbert Jones Laboratory, University of Chicago, Chicago, IL 37, United States
Facultad de Ciencias Exactas, Universidad de Buenos Aires, Argentina
Año:1961
Volumen:34
Número:4
Página de inicio:1232
Página de fin:1236
DOI: http://dx.doi.org/10.1063/1.1731723
Título revista:The Journal of Chemical Physics
ISSN:00219606
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v34_n4_p1232_Dewar

Citas:

---------- APA ----------
Dewar, M.J.S. & Hojvat, N.L. (1961) . The SPO (split p-orbital) method and its application to ethylene. The Journal of Chemical Physics, 34(4), 1232-1236.
http://dx.doi.org/10.1063/1.1731723
---------- CHICAGO ----------
Dewar, M.J.S., Hojvat, N.L. "The SPO (split p-orbital) method and its application to ethylene" . The Journal of Chemical Physics 34, no. 4 (1961) : 1232-1236.
http://dx.doi.org/10.1063/1.1731723
---------- MLA ----------
Dewar, M.J.S., Hojvat, N.L. "The SPO (split p-orbital) method and its application to ethylene" . The Journal of Chemical Physics, vol. 34, no. 4, 1961, pp. 1232-1236.
http://dx.doi.org/10.1063/1.1731723
---------- VANCOUVER ----------
Dewar, M.J.S., Hojvat, N.L. The SPO (split p-orbital) method and its application to ethylene. 1961;34(4):1232-1236.
http://dx.doi.org/10.1063/1.1731723