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
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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
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Año: | 2007
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Volumen: | 61
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Página de inicio: | 133
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Página de fin: | 245
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DOI: |
http://dx.doi.org/10.1016/S0066-4103(07)61103-X |
Título revista: | Annual Reports on NMR Spectroscopy
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Título revista abreviado: | Annu. Rep. NMR Spectrosc.
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ISSN: | 00664103
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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