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Abstract:

Recent trends in theoretical calculations of indirect spin-spin coupling constants covering the period of May 2003-July 2006 are outlined with the emphasis on the currently used wavefunction- and DFT-based methods. Computational results dealing with the different spin-spin coupling constants in several representative inorganic, organic, and biomolecular species obtained within the ab initio and DFT frameworks are compiled and critically discussed to elucidate some illustrative structural trends and their practical applications. © 2007 Elsevier Ltd. All rights reserved.

Registro:

Documento: Artículo
Título:Recent Advances in Theoretical Calculations of Indirect Spin-Spin Coupling Constants
Autor:Krivdin, L.B.; Contreras, R.
Filiación:A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch, the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russian Federation
Department of Physics, University of Buenos Aires, CONICET Ciudad Universitaria, Pab. 1, C1428EHA Buenos Aires, Argentina
Año:2007
Volumen:61
Página de inicio:133
Página de fin:245
DOI: http://dx.doi.org/10.1016/S0066-4103(07)61103-X
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_v61_n_p133_Krivdin

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Citas:

---------- APA ----------
Krivdin, L.B. & Contreras, R. (2007) . Recent Advances in Theoretical Calculations of Indirect Spin-Spin Coupling Constants. Annual Reports on NMR Spectroscopy, 61, 133-245.
http://dx.doi.org/10.1016/S0066-4103(07)61103-X
---------- CHICAGO ----------
Krivdin, L.B., Contreras, R. "Recent Advances in Theoretical Calculations of Indirect Spin-Spin Coupling Constants" . Annual Reports on NMR Spectroscopy 61 (2007) : 133-245.
http://dx.doi.org/10.1016/S0066-4103(07)61103-X
---------- MLA ----------
Krivdin, L.B., Contreras, R. "Recent Advances in Theoretical Calculations of Indirect Spin-Spin Coupling Constants" . Annual Reports on NMR Spectroscopy, vol. 61, 2007, pp. 133-245.
http://dx.doi.org/10.1016/S0066-4103(07)61103-X
---------- VANCOUVER ----------
Krivdin, L.B., Contreras, R. Recent Advances in Theoretical Calculations of Indirect Spin-Spin Coupling Constants. Annu. Rep. NMR Spectrosc. 2007;61:133-245.
http://dx.doi.org/10.1016/S0066-4103(07)61103-X