Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
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 e...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
Elsevier
1997
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
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| LEADER | 05272caa a22007577a 4500 | ||
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| 001 | PAPER-20087 | ||
| 003 | AR-BaUEN | ||
| 005 | 20250321085819.0 | ||
| 008 | 190411s1997 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-0043265927 | |
| 030 | |a THEOD | ||
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 100 | 1 | |a Caputo, María Cristina | |
| 245 | 1 | 0 | |a Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field |
| 260 | |b Elsevier |c 1997 | ||
| 270 | 1 | 0 | |m Ferraro, M.B.; Departamento de Física, F.C.E. y N., (1428) Ciudad Universitaria, Pab. I, Buenos Aires, Argentina |
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| 504 | |a Herzberg, G., (1966) Electronic Spectra and Electronic Structures of Polyatomic Molecules, , Van Nostrand, Princeton | ||
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| 506 | |2 openaire |e Política editorial | ||
| 520 | 3 | |a 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. |l eng | |
| 536 | |a Detalles de la financiación: Universidad de Buenos Aires | ||
| 536 | |a Detalles de la financiación: Financial support for the present research from the University of Buenos Aires is gratefully acknowledged. | ||
| 593 | |a Departamento de Física, F.C.E. y N., (1428) Ciudad Universitaria, Pab. I, Buenos Aires, Argentina | ||
| 690 | 1 | 0 | |a MAGNETIC MULTIPOLE |
| 690 | 1 | 0 | |a MAGNETIC SUSCEPTIBILITY |
| 690 | 1 | 0 | |a NON-UNIFORM MAGNETIC FIELD |
| 690 | 1 | 0 | |a NUCLEAR MAGNETIC SHIELDING |
| 700 | 1 | |a Ferraro, Marta Beatriz | |
| 773 | 0 | |d Elsevier, 1997 |g v. 390 |h pp. 47-55 |k n. 1-3 |p J. Mol. Struct. THEOCHEM |x 01661280 |w (AR-BaUEN)CENRE-1043 |t Journal of Molecular Structure: THEOCHEM | |
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