Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants
In this work a selection of papers dealing with NMR indirect spin-spin coupling constants published between 1999 and May 2003 are reviewed. Care is taken to avoid overlap between this work and several important review articles published during this period. A general introduction is followed by two m...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
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2003
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |
| LEADER | 04297caa a22003857a 4500 | ||
|---|---|---|---|
| 001 | PAPER-21408 | ||
| 003 | AR-BaUEN | ||
| 005 | 20250204092320.0 | ||
| 008 | 190411s2003 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-36148970506 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 100 | 1 | |a Contreras, Rubén Horacio | |
| 245 | 1 | 0 | |a Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants |
| 260 | |c 2003 | ||
| 270 | 1 | 0 | |m CONTRERAS, R.H.; Physics Department, School of Sciences, University of Buenos Aires, Ciudad Universitaria, P. 1, 1428 Buenos Aires, Argentina |
| 506 | |2 openaire |e Política editorial | ||
| 520 | 3 | |a In this work a selection of papers dealing with NMR indirect spin-spin coupling constants published between 1999 and May 2003 are reviewed. Care is taken to avoid overlap between this work and several important review articles published during this period. A general introduction is followed by two main sections. In the first section, the most relevant advances in theoretical approaches to calculate and analyze these spectral parameters are discussed. The relevant role played by both non-relativistic and relativistic DFT-based approaches is highlighted. In the second section, calculations, analyses and measurements of couplings in molecular systems providing an interesting insight into how intra- and intermolecular interactions affect spin-spin couplings are discussed. Special attention is given to couplings transmitted through a hydrogen-bond, a phenomenon that proved to be very important for studying important aspects of structural molecular biology. Other interactions are also discussed, such as the through-space transmission, proximity effects, factors that define the stereo-specific behaviour of several types of couplings, medium effects and nuclear motion effects. Instead of aiming at an exhaustive analysis of the current bibliography, priority is given to comments that convey both the idea of the enormous potential that indirect spin-spin couplings have for studying molecular processes as well as their usefulness as probes to study subtle aspects of electronic molecular structure. © 2003 Elsevier Science Ireland Ltd. All rights reserved. |l eng | |
| 536 | |a Detalles de la financiación: Universidad de Buenos Aires | ||
| 536 | |a Detalles de la financiación: Secretaría de Ciencia y Técnica, Universidad de Buenos Aires | ||
| 536 | |a Detalles de la financiación: National Science Foundation, INT-0071032 | ||
| 536 | |a Detalles de la financiación: RHC whishes to express his sincere thanks to Professor H. F. Schaefer III for his kind hospitality at the Center for Computational Quantum Chemistry, University of Georgia, where part of this work was prepared. The Argentine authors gratefully acknowledge financial support from UBACYT. JCF acknowledges the support of the International and Chemistry Divisions of NSF (INT-0071032) that have supported his collaboration with the University of Buenos Aires. | ||
| 593 | |a Physics Department, School of Sciences, University of Buenos Aires, Ciudad Universitaria, P. 1, 1428 Buenos Aires, Argentina | ||
| 593 | |a Center for High Performance Computing, University of Utah, 155 South 1452 East RM 405, Salt Lake City, UT 84112-0190, United States | ||
| 593 | |a Department of Chemistry, Rice University, Houston, TX 77005-1892, United States | ||
| 700 | 1 | |a BARONE, V. | |
| 700 | 1 | |a FACELLI, J.C. | |
| 700 | 1 | |a PERALTA, J.E. | |
| 773 | 0 | |d 2003 |g v. 51 |h pp. 167-260 |p Annu. Rep. NMR Spectrosc. |x 00664103 |z 0125054513 |z 9780125054515 |t Annual Reports on NMR Spectroscopy | |
| 856 | 4 | 1 | |u https://www.scopus.com/inward/record.uri?eid=2-s2.0-36148970506&doi=10.1016%2fS0066-4103%2803%2951004-3&partnerID=40&md5=4eed36af06cd655db862fb10e34e1fde |y Registro en Scopus |
| 856 | 4 | 0 | |u https://doi.org/10.1016/S0066-4103(03)51004-3 |y DOI |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_00664103_v51_n_p167_CONTRERAS |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00664103_v51_n_p167_CONTRERAS |y Registro en la Biblioteca Digital |
| 961 | |a paper_00664103_v51_n_p167_CONTRERAS |b paper |c PE | ||
| 962 | |a info:eu-repo/semantics/article |a info:ar-repo/semantics/artículo |b info:eu-repo/semantics/publishedVersion | ||
| 999 | |c 82361 | ||