Registro:
Documento: |
Artículo
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Título: | New method to study spin-spin coupling constants involving heavy nuclei at the MNDO-RPA level with localized orbitals |
Autor: | Aucar, G.A.; Contreras, R.H. |
Filiación: | Departamento de Fisica, Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, 3400 Corrientes, Argentina Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon 1, 1428 Buenos Aires, Argentina
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Año: | 1991
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Volumen: | 93
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Número: | 2
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Página de inicio: | 413
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Página de fin: | 418
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DOI: |
http://dx.doi.org/10.1016/0022-2364(91)90018-O |
Título revista: | Journal of Magnetic Resonance (1969)
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ISSN: | 00222364
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222364_v93_n2_p413_Aucar |
Referencias:
- Webb, (1989) Specialist Periodical Reports on Nuclear Magnetic Resonance, 18. , The Royal Society of Chemistry, London, Chap. 3
- Webb, (1990) Specialist Periodical Reports on Nuclear Magnetic Resonance, 19. , Chap. 3
- Kowalewski, (1977) Prog. NMR Spectrosc., 11, p. 1
- Kowalewski, (1982) Ann. Rep. NMR Spectrosc., 12, p. 81
- Pople, Beveridge, (1970) Approximate Molecular Orbital Theory, , McGraw-Hill, New York
- Contreras, Natiello, Scuseria, (1985) Magn. Reson. Rev., 9, p. 239
- Galasso, Bigotto, A theoretical study of nuclear spin coupling constants and hyperfine coupling constants of se-heterocyclics (1974) Organic Magnetic Resonance, 6, p. 475
- Galasso, (1975) Chem. Phys. Lett., 32, p. 108
- Galasso, (1974) Theor. Chim, Acta, 34, p. 137
- Contreras, Gavarini, Natiello, The through-space transmission of 77Se - 77Se coupling constants (1987) Journal of Computational Chemistry, 8, p. 265
- Webb, (1990) Specialist Periodical Reports on Nuclear Magnetic Resonance, 18. , The Royal Society of Chemistry, London, and Vol. 19, Chap. 4
- Pyykkö, Relativistic effects in structural chemistry (1988) Chemical Reviews, 88, p. 563
- Pyykkö, (1977) Chem. Phys., 22, p. 289
- Pyykkö, Wiesenfeld, Relativistically parameterized extended Hückel calculations (1981) Molecular Physics, 43, p. 557
- Pyykkö, (1982) J. Organomet. Chem., 232, p. 21
- Diz, Giribet, Ruiz De Azúa, Contreras, The use of localized molecular orbitals and the polarization propagator to identify transmission mechanisms in nuclear spin-spin couplings (1990) International Journal of Quantum Chemistry, 37, p. 663
- Dewar, Grady, Merz, Jr, Stewart, (1985) Organometallics, 4, p. 1964
- Dewar, Holloway, Grady, Stewart, (1985) Organometallics, 4, p. 1973
- Dewar, Stewart, (1986) AMPAC, Program No. 527, Quantum Chemistry Program Exchange, , University of Indiana, Bloomington, Indiana
- Blizzard, Santry, (1971) J. Chem. Phys., 55, p. 950
- Desclaux, (1975) Comput. Phys. Commun., 9, p. 31
- Mcconnell, (1956) J. Chem. Phys., 24, p. 460
- Lee, Ermler, Pitzer, (1977) J. Chem. Phys., 67, p. 5861
- Balasubramanian, Pitzer, (1987) Ab Initio Methods in Quantum Chemistry, , K.P Lawley, Wiley, New York
- Scuseria, Contreras, Unrestricted Hartree-Fock instabilities in semiempirical CNDO/S and INDO/S calculations of spin-spin coupling constants (1981) Theoretica Chimica Acta, 59, p. 437
- Scuseria, Engelmann, Contreras, (1982) Theor. Chim. Acta, 61, p. 49
- Hawk, Sharp, (1974) J. Chem. Phys., 60, p. 1009
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- McFarlane, 13C spin-spin coupling to group IV elements in symmetrical molecules (1967) Molecular Physics, 13, p. 587
- McFarlane, A heteronuclear magnetic double resonance study of hexamethylditin (1968) Journal of the Chemical Society A: Inorganic, Physical, Theoretical, p. 1630
- Kennedy, McFarlane, (1974) J. Organomet. Chem., 80, p. 47
- Kennedy, McFarlane, Wrackmeyer, (1976) Inorg. Chem., 15, p. 1299
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Citas:
---------- APA ----------
Aucar, G.A. & Contreras, R.H.
(1991)
. New method to study spin-spin coupling constants involving heavy nuclei at the MNDO-RPA level with localized orbitals. Journal of Magnetic Resonance (1969), 93(2), 413-418.
http://dx.doi.org/10.1016/0022-2364(91)90018-O---------- CHICAGO ----------
Aucar, G.A., Contreras, R.H.
"New method to study spin-spin coupling constants involving heavy nuclei at the MNDO-RPA level with localized orbitals"
. Journal of Magnetic Resonance (1969) 93, no. 2
(1991) : 413-418.
http://dx.doi.org/10.1016/0022-2364(91)90018-O---------- MLA ----------
Aucar, G.A., Contreras, R.H.
"New method to study spin-spin coupling constants involving heavy nuclei at the MNDO-RPA level with localized orbitals"
. Journal of Magnetic Resonance (1969), vol. 93, no. 2, 1991, pp. 413-418.
http://dx.doi.org/10.1016/0022-2364(91)90018-O---------- VANCOUVER ----------
Aucar, G.A., Contreras, R.H. New method to study spin-spin coupling constants involving heavy nuclei at the MNDO-RPA level with localized orbitals. 1991;93(2):413-418.
http://dx.doi.org/10.1016/0022-2364(91)90018-O