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Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P.; Malagoli, M.; Zanasi, R. "Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields" (1994) Journal of Molecular Structure: THEOCHEM. 305(C):89-99
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Abstract:

The interaction Hamiltonian within the Bloch gauge for the potentials of the electromagnetic field has been used to define electromagnetic multipole moment operators and operators for the magnetic field of electrons acting on the nuclei of a molecule. Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei. Multipole magnetic susceptibility and nuclear magnetic shielding tensors have been defined to describe the contributions arising in non-uniform magnetic fields, and their origin dependence has been analyzed. Extended numerical tests on the water molecule in a static, non-uniform magnetic field have been carried out, using the random-phase approximation within the framework of accurate Hartree-Fock zero-order wavefunctions. © 1994.

Registro:

Documento: Artículo
Título:Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields
Autor:Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P.; Malagoli, M.; Zanasi, R.
Filiación:Departamento de Física, F. C. E. y N., Universidad de Buenos Aires, (1428) Ciudad Universitaria, Pab. I, Buenos Aires, Argentina
Dipartimento di Chimica, Università degli Studi, via Campi 183, 41100 Modena, Italy
Año:1994
Volumen:305
Número:C
Página de inicio:89
Página de fin:99
DOI: http://dx.doi.org/10.1016/0166-1280(94)80144-4
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_v305_nC_p89_Caputo

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Citas:

---------- APA ----------
Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M. & Zanasi, R. (1994) . Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields. Journal of Molecular Structure: THEOCHEM, 305(C), 89-99.
http://dx.doi.org/10.1016/0166-1280(94)80144-4
---------- CHICAGO ----------
Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M., Zanasi, R. "Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields" . Journal of Molecular Structure: THEOCHEM 305, no. C (1994) : 89-99.
http://dx.doi.org/10.1016/0166-1280(94)80144-4
---------- MLA ----------
Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M., Zanasi, R. "Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields" . Journal of Molecular Structure: THEOCHEM, vol. 305, no. C, 1994, pp. 89-99.
http://dx.doi.org/10.1016/0166-1280(94)80144-4
---------- VANCOUVER ----------
Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M., Zanasi, R. Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields. J. Mol. Struct. THEOCHEM. 1994;305(C):89-99.
http://dx.doi.org/10.1016/0166-1280(94)80144-4