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dc.contributor.author
Contreras, Ruben Horacio
dc.contributor.author
Suardíaz, R.
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Pérez, C.
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Crespo-Otero, R.
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San Fabián, J.
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De La García Vega, J.M.
dc.date.available
2018-09-21T13:36:18Z
dc.date.issued
2010-06
dc.identifier.citation
Contreras, Ruben Horacio; Suardíaz, R.; Pérez, C.; Crespo-Otero, R.; San Fabián, J.; et al.; NMR spin-spin coupling constants and hyperconjugative interactions; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 110; 3; 6-2010; 532-539
dc.identifier.issn
0020-7608
dc.identifier.uri
http://hdl.handle.net/11336/60554
dc.description.abstract
The potential of NMR spin-spin coupling constants as probes to study fine details of electronic molecular structures is briefly discussed in this work through two different examples. A qualitative analysis of the polarization propagator expression for the Fermi contact term is applied for predicting factors affecting 1JCH, and comments are made about how to generalize those results to different types of one-bond spin-spin couplings. Moreover, the Natural J Coupling method is applied to get insight into electronic factors defining a. Karplus relationship of type 3J HH (180°) < 3JHH(0°) known in the literature for some amino acids. © 2009 Wiley Periodicals, Inc.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Inc
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Coupling Constants
dc.subject
Hyperconjugative Interactions
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Natural Bond Orbitals
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Njc
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Nmr
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Astronomía
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
NMR spin-spin coupling constants and hyperconjugative interactions
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-09-10T16:31:57Z
dc.journal.volume
110
dc.journal.number
3
dc.journal.pagination
532-539
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Nueva York
dc.description.fil
Fil: Contreras, Ruben Horacio. Universidad de Buenos Aires; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
dc.description.fil
Fil: Suardíaz, R.. Universidad de La Habana; Cuba
dc.description.fil
Fil: Pérez, C.. Universidad de La Habana; Cuba
dc.description.fil
Fil: Crespo-Otero, R.. Universidad de La Habana; Cuba
dc.description.fil
Fil: San Fabián, J.. Universidad Autónoma de Madrid; España
dc.description.fil
Fil: De La García Vega, J.M.. Universidad Autónoma de Madrid; España
dc.journal.title
International Journal of Quantum Chemistry
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/qua.22136
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