Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacting with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations within the random-pha...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
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1994
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
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| LEADER | 03814caa a22005057a 4500 | ||
|---|---|---|---|
| 001 | PAPER-19087 | ||
| 003 | AR-BaUEN | ||
| 005 | 20241128132856.0 | ||
| 008 | 190411s1994 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-34247324802 | |
| 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 a methane molecule in a nonuniform magnetic field |
| 260 | |c 1994 | ||
| 270 | 1 | 0 | |m Caputo, M.C.; Departamento de Física, Universidad de Buenos Aires, (1428) Ciudad Universitaria, Buenos Aires, Argentina |
| 504 | |a Van Vleck, J.H., (1932) The Theory of the Electric and Magnetic Susceptibilities, , Oxford University Press, London | ||
| 504 | |a Ramsey, N.F., (1950) Phys. Rev., 78, p. 699 | ||
| 504 | |a Ramsey, N.F., (1952) Phys. Rev., 86, p. 243 | ||
| 504 | |a Molecular Beams (Oxford University Press, London, 1956); Lazzeretti, P., (1987) Adv. Chem. Phys., 75, p. 507 | ||
| 504 | |a Raab, R.E., Magnetic multipole moments (1975) Molecular Physics, 29, p. 1323 | ||
| 504 | |a F. Bloch, in W. Heisenberg und die Physik unserer Zeit, edited by F. Bopp (Vieweg, Braunschweig, 1961), p. 93; Lazzeretti, P., (1993) Theor. Chim. Acta, 87, p. 59 | ||
| 504 | |a Caputo, M.C., Ferraro, M.B., Lazzeretti, P., Malagoli, M., Zanasi, R., J. Mol. Struct. (to be published); McConnell, H.M., (1957) J. Chem. Phys., 27, p. 226 | ||
| 504 | |a Buckingham, A.D., Stiles, P.J., Magnetic multipoles and the ‘pseudo-contact’ chemical shift (1972) Molecular Physics, 24, p. 99 | ||
| 504 | |a Rowe, D.J., (1968) Rev. Mod. Phys., 40, p. 153 | ||
| 504 | |a Epstein, S.T., (1974) The Variation Method in Quantum Chemistry, , Academic, New York | ||
| 504 | |a Lazzeretti, P., Zanasi, R., (1986) J. Chem. Phys., 85, p. 5924 | ||
| 504 | |a Ferraro, M.B., Herr, T.E., Lazzeretti, P., Malagoli, M., Zanasi, R., (1993) J. Chem. Phys., 98, p. 4030 | ||
| 504 | |a Lazzeretti, P., Rossi, E., Zanasi, R., (1982) J. Chem. Phys., 77, p. 3129 | ||
| 504 | |a Hirschfelder, J.O., (1977) J. Chem. Phys., 67, p. 5477 | ||
| 506 | |2 openaire |e Política editorial | ||
| 520 | 3 | |a Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacting with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations within the random-phase approximation. The Hartree-Fock limit of accuracy has been achieved and the quality of the calculations has been confirmed via tests based on sum rules for the origin dependence of the response properties. © 1994 The American Physical Society. |l eng | |
| 593 | |a Departamento de Física, Universidad de Buenos Aires, (1428) Ciudad Universitaria, Buenos Aires, Argentina | ||
| 593 | |a Dipartimento di Chimica, Università degli Studi, via Campi 183, 41100 Modena, Italy | ||
| 700 | 1 | |a Ferraro, M.B. | |
| 700 | 1 | |a Lazzeretti, P. | |
| 700 | 1 | |a Malagoli, M. | |
| 700 | 1 | |a Zanasi, R. | |
| 773 | 0 | |d 1994 |g v. 49 |h pp. 3445-3449 |k n. 5 |x 10502947 |t Physical Review A | |
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| 963 | |a VARI | ||