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Documento: Artículo
Título:B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
Autor:Ferraro, M.B.
Filiación:Departamento De Física. Facultad De Ciencias Exactas Y Naturales, Universidad De Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina
Palabras clave:Density functional theory; Gauge-including-atomic-orbitals; Nuclear magnetic resonance shielding; carbon; carbon 13; hydrogen; nitrogen; urea derivative; article; calculation; carbon nuclear magnetic resonance; chemical bond; chemical structure; density; geometry; proton nuclear magnetic resonance; structure analysis; theory
Año:2000
Volumen:528
Número:1-3
Página de inicio:199
Página de fin:209
DOI: http://dx.doi.org/10.1016/S0166-1280(99)00491-1
Título revista:Journal of Molecular Structure: THEOCHEM
Título revista abreviado:J. Mol. Struct. THEOCHEM
ISSN:01661280
CODEN:THEOD
CAS:carbon, 7440-44-0; carbon 13, 14762-74-4; hydrogen, 12385-13-6, 1333-74-0; nitrogen, 7727-37-9
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v528_n1-3_p199_Ferraro

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Citas:

---------- APA ----------
(2000) . B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations. Journal of Molecular Structure: THEOCHEM, 528(1-3), 199-209.
http://dx.doi.org/10.1016/S0166-1280(99)00491-1
---------- CHICAGO ----------
Ferraro, M.B. "B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations" . Journal of Molecular Structure: THEOCHEM 528, no. 1-3 (2000) : 199-209.
http://dx.doi.org/10.1016/S0166-1280(99)00491-1
---------- MLA ----------
Ferraro, M.B. "B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations" . Journal of Molecular Structure: THEOCHEM, vol. 528, no. 1-3, 2000, pp. 199-209.
http://dx.doi.org/10.1016/S0166-1280(99)00491-1
---------- VANCOUVER ----------
Ferraro, M.B. B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations. J. Mol. Struct. THEOCHEM. 2000;528(1-3):199-209.
http://dx.doi.org/10.1016/S0166-1280(99)00491-1