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Abstract:

Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei of an SF6 molecule interacting with an external magnetic field with a spatially uniform gradient. Contributions to magnetic susceptibility and magnetic shielding of the nuclei have been evaluated using the random phase approximation within the framework of accurate Hartree-Fock zero order wavefuctions. The quality of the calculations has been judged by the fulfillment of sum rules for the origin dependence of the response properties.

Registro:

Documento: Artículo
Título:Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
Autor:Caputo, M.C.; Ferraro, M.B.
Filiación:Departamento de Física, F.C.E. y N., (1428) Ciudad Universitaria, Pab. I, Buenos Aires, Argentina
Palabras clave:Magnetic multipole; Magnetic susceptibility; Non-uniform magnetic field; Nuclear magnetic shielding
Año:1997
Volumen:390
Número:1-3
Página de inicio:47
Página de fin:55
DOI: http://dx.doi.org/10.1016/S0166-1280(96)04758-6
Título revista:Journal of Molecular Structure: THEOCHEM
Título revista abreviado:J. Mol. Struct. THEOCHEM
ISSN:01661280
CODEN:THEOD
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v390_n1-3_p47_Caputo

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Citas:

---------- APA ----------
Caputo, M.C. & Ferraro, M.B. (1997) . Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field. Journal of Molecular Structure: THEOCHEM, 390(1-3), 47-55.
http://dx.doi.org/10.1016/S0166-1280(96)04758-6
---------- CHICAGO ----------
Caputo, M.C., Ferraro, M.B. "Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field" . Journal of Molecular Structure: THEOCHEM 390, no. 1-3 (1997) : 47-55.
http://dx.doi.org/10.1016/S0166-1280(96)04758-6
---------- MLA ----------
Caputo, M.C., Ferraro, M.B. "Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field" . Journal of Molecular Structure: THEOCHEM, vol. 390, no. 1-3, 1997, pp. 47-55.
http://dx.doi.org/10.1016/S0166-1280(96)04758-6
---------- VANCOUVER ----------
Caputo, M.C., Ferraro, M.B. Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field. J. Mol. Struct. THEOCHEM. 1997;390(1-3):47-55.
http://dx.doi.org/10.1016/S0166-1280(96)04758-6