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Abstract:

This chapter discusses advances in the theoretical and physical aspects of spin–spin coupling constants. From both theoretical and experimental points of view, the analysis of high-resolution NMR parameters is an important problem, and its significance for the understanding of molecular electronic structure can hardly be stressed enough. When both approaches are taken together, an excellent example of the Born–Opperheimer approximation is obtained because experimentalists measure transitions among nuclear states that are modified by the interactions among magnetic nuclei, external magnetic field, and electrons, while theoreticians study the way the electronic wave function is modified owing to those interactions. The empirical Hamiltonian describes the way nuclear spin energy levels are modified both by the static magnetic field provided by a spectrometer and by the interactions between magnetic nuclei and electrons belonging to a given molecule. © 1993 Academic Press Limited

Registro:

Documento: Artículo
Título:Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants
Autor:Contreras, R.H.; Facelli, J.C.
Filiación:Deparamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina
Utah Supercomputing Institute and Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States
Año:1993
Volumen:27
Número:C
Página de inicio:255
Página de fin:356
DOI: http://dx.doi.org/10.1016/S0066-4103(08)60269-0
Título revista:Annual Reports on NMR Spectroscopy
Título revista abreviado:Annu. Rep. NMR Spectrosc.
ISSN:00664103
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00664103_v27_nC_p255_Contreras

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Citas:

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Contreras, R.H. & Facelli, J.C. (1993) . Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants. Annual Reports on NMR Spectroscopy, 27(C), 255-356.
http://dx.doi.org/10.1016/S0066-4103(08)60269-0
---------- CHICAGO ----------
Contreras, R.H., Facelli, J.C. "Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants" . Annual Reports on NMR Spectroscopy 27, no. C (1993) : 255-356.
http://dx.doi.org/10.1016/S0066-4103(08)60269-0
---------- MLA ----------
Contreras, R.H., Facelli, J.C. "Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants" . Annual Reports on NMR Spectroscopy, vol. 27, no. C, 1993, pp. 255-356.
http://dx.doi.org/10.1016/S0066-4103(08)60269-0
---------- VANCOUVER ----------
Contreras, R.H., Facelli, J.C. Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants. Annu. Rep. NMR Spectrosc. 1993;27(C):255-356.
http://dx.doi.org/10.1016/S0066-4103(08)60269-0