Nuclear Magnetic Shielding and Molecular Structure
Proceedings of the NATO ARW on 'The Calculation of NMR Shielding Constants and Their Use in the Determination of the Geometric and Electronic Structures of Molecules and Solids', College Park, MD, U.S.A., July 20-24, 1992
Seiten
1993
Kluwer Academic Publishers (Verlag)
978-0-7923-2119-4 (ISBN)
Kluwer Academic Publishers (Verlag)
978-0-7923-2119-4 (ISBN)
Modern approaches to the theoretical computation and experimental determination of NMR shielding tensors are described in 29 papers based on lectures presented at the NATO ARW. Recent progress is described in their application to chemical, biochemical, geochemical and materials science problems.
Modern approaches to the theoretical computation and experimental determination of NMR shielding tensors are described in 29 papers based on lectures presented at the NATO ARW. All of the most popular computational methods are reviewed and recent progress is described in their application to chemical, biochemical, geochemical and materials science problems. Experimental studies on NMR shieldings in gases, liquids and solids are also included, with special emphasis placed upon the relationship between NMR shielding and geometric structure and upon tests of the accuracy of the various computational methods. Qualitative MO schemes and semi-empirical approaches are also considered in the light of the computational results. This should be a valuable book for anyone interested in how the NMR shielding tensor can be used to determine the geometric and electronic structures of molecules and solids.
Modern approaches to the theoretical computation and experimental determination of NMR shielding tensors are described in 29 papers based on lectures presented at the NATO ARW. All of the most popular computational methods are reviewed and recent progress is described in their application to chemical, biochemical, geochemical and materials science problems. Experimental studies on NMR shieldings in gases, liquids and solids are also included, with special emphasis placed upon the relationship between NMR shielding and geometric structure and upon tests of the accuracy of the various computational methods. Qualitative MO schemes and semi-empirical approaches are also considered in the light of the computational results. This should be a valuable book for anyone interested in how the NMR shielding tensor can be used to determine the geometric and electronic structures of molecules and solids.
| Reihe/Serie | NATO Science Series C ; 386 |
|---|---|
| Sprache | englisch |
| Einbandart | gebunden |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| ISBN-10 | 0-7923-2119-7 / 0792321197 |
| ISBN-13 | 978-0-7923-2119-4 / 9780792321194 |
| Zustand | Neuware |
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